| CAS Number | 889658-85-9 |
| Catalog Number | AG00IFIV(AGN-PC-0WCKL7) |
| Chemical Name | 3-Bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-7(11)8-6(13-9)4-3-5-12-8/h3-5,13H,2H2,1H3 |
| InChI Key | IJSMPVSMWCDZKW-UHFFFAOYSA-N |
| MDL Number | MFCD16657746 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | CCOC(=O)C1=C(Br)C2=NC=CC=C2N1 |
| Synonyms | 889658-85-9,
3-BROMO-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER,
Ethyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate,
SCHEMBL3881195,
IJSMPVSMWCDZKW-UHFFFAOYSA-N,
MFCD16657746,
ZINC147062363,
PB13695,
KS-0000046U,
AS-51099,
CS-0049492,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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