| CAS Number | 1234615-78-1 |
| Catalog Number | AG000KLS(AGN-PC-0WCX7X) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-iodo-, methyl ester |
| IUPAC Name | methyl 5-iodo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate |
| InChI | InChI=1S/C9H7IN2O2/c1-14-9(13)7-4-12-8-6(7)2-5(10)3-11-8/h2-4H,1H3,(H,11,12) |
| InChI Key | ZXPUBRWZBQAPOA-UHFFFAOYSA-N |
| MDL Number | MFCD17214369 |
| Molecular Formula | C9H7IN2O2 |
| Molecular Weight | 302.0686 |
| SMILES | COC(=O)c1c[nH]c2ncc(I)cc12 |
| Synonyms | 1234615-78-1,
METHYL 5-IODO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE,
METHYL 5-IODO-7-AZAINDOLE-3-CARBOXYLATE,
MFCD17214369,
ZINC206020937,
FCH1358451,
PB28700,
AK170630,
AS-51217,
CS-0048974,
KS-00000393,
Q-2956,
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-iodo-, methyl ester,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.071g/mol |
| Monoisotopic Mass | 301.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number