| CAS Number | 887206-82-8 |
| Catalog Number | AG019Z9U(AGN-PC-0WCN3N) |
| Chemical Name | 4-(1H-Pyrrol-1-yl)pyridine-2-carboxylic acid |
| IUPAC Name | 4-pyrrol-1-ylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H8N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H,(H,13,14) |
| InChI Key | WGDPWMLPQRTMBY-UHFFFAOYSA-N |
| MDL Number | MFCD04971956 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | C1=CN(C=C1)C2=CC(=NC=C2)C(=O)O |
| Synonyms | 4-(1H-Pyrrol-1-yl)pyridine-2-carboxylic acid,
887206-82-8,
4-pyrrol-1-ylpyridine-2-carboxylic Acid,
AC1M0HB4,
ZINC2456188,
4-pyrrolylpyridine-2-carboxylic acid,
SBB044003,
STL490546,
AKOS000272819,
MCULE-3813692535,
4-(pyrrol-1-yl)pyridine-2-carboxylic acid,
L-3523,
AB00677689-01,
4-pyrrol-1-ylpyridine-2-carboxylic acid, AldrichCPR,
F1926-0043,
Z1954800822,
XXE,
CID2050136,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number