| CAS Number | 1260387-09-4 |
| Catalog Number | AG000QTC(AGN-PC-0WAIX3) |
| Chemical Name | 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid |
| IUPAC Name | 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C8H5FN2O2/c9-6-4-1-2-10-7(4)11-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | MOFQOEDBMKIYBZ-UHFFFAOYSA-N |
| MDL Number | MFCD18381203 |
| Molecular Formula | C8H5FN2O2 |
| Molecular Weight | 180.1359 |
| SMILES | O=C(O)c1cnc2[nH]ccc2c1F |
| Synonyms | 4-fluoro-1h-pyrrolo[2,3-b]pyridine-5-carboxylic acid,
1260387-09-4,
4-Fluoro-7-azaindole-5-carboxylic acid,
KS-000005SN,
ZINC95920069,
FCH1190893,
SB14277,
AK167696,
AS-53109,
CS-0050860,
MOFQOEDBMKIYBZ-UHFFFAOYSA-N,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.033506g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.14g/mol |
| Monoisotopic Mass | 180.033506g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number