| CAS Number | 889943-25-3 |
| Catalog Number | AG019Z9V(AGN-PC-05OWY1) |
| Chemical Name | 2-(1H-Pyrrol-1-yl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-pyrrol-1-ylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H8N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h1-7H,(H,13,14) |
| InChI Key | ZMSXYMJKQAQXOQ-UHFFFAOYSA-N |
| MDL Number | MFCD08436397 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | N1(C=CC=C1)C1=NC=CC(=C1)C(=O)O |
| Synonyms | 2-(1H-pyrrol-1-yl)pyridine-4-carboxylic acid,
889943-25-3,
2-(1H-pyrrol-1-yl)isonicotinic acid,
SCHEMBL2270385,
ZMSXYMJKQAQXOQ-UHFFFAOYSA-N,
ZINC26438389,
AKOS006288644,
Z2738925308,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number