| CAS Number | 1234616-18-2 |
| Catalog Number | AG000KMN(AGN-PC-0WBSKW) |
| Chemical Name | Methyl 3H-imidazo[4,5-c]pyridine-4-carboxylate |
| IUPAC Name | methyl 1H-imidazo[4,5-c]pyridine-4-carboxylate |
| InChI | InChI=1S/C8H7N3O2/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6/h2-4H,1H3,(H,10,11) |
| InChI Key | AEVKUBOBFVAQDL-UHFFFAOYSA-N |
| MDL Number | MFCD17015951 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | O=C(OC)C1=NC=CC=2NC=NC12 |
| Synonyms | 1234616-18-2,
METHYL 1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBOXYLATE,
Methyl 3H-imidazo[4,5-c]pyridine-4-carboxylate,
SCHEMBL4910686,
KS-000003BP,
MFCD17015951,
ZINC89203028,
AKOS026749752,
FCH3813710,
PB11225,
AK173686,
AS-51163,
CS-0049249,
Q-2774,
3h-imidazo[4,5-c]pyridine-4-carboxylic acid methyl ester,
3H-Imidazo[4,5-c]pyridine-4-carboxylic acid, methyl ester,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number