ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate

C9H8ClN3O2 — CID 131257762

IUPACethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Cl)nccc2[nH]1
InChIInChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-12-5-3-4-11-7(10)6(5)13-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyUDEKOEMOMIBQGR-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.79
Rot. Bonds2

About ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate

ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 131257762) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID131257762
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Nameethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Cl)nccc2[nH]1
InChIInChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-12-5-3-4-11-7(10)6(5)13-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyUDEKOEMOMIBQGR-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-iodo-1H-benzimidazole-2-carboxylate
CID 131472468
ethyl 7-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 63723819
ethyl 4-nitro-1H-benzimidazole-2-carboxylate
CID 141488459
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
N-[(6-chloro-2-ethoxycarbonyl-5-methyl-1H-benzimidazol-4-yl)methyl]-ethoxyphosphonamidic acid
CID 19759700
ethyl 4-benzoyl-2-chloropyridine-3-carboxylate
CID 15850395
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 6-methylsulfonyl-1H-benzimidazole-2-carboxylate
CID 63357941
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
ethyl 4-chloro-2-formylpyridine-3-carboxylate
CID 86683157

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate (CID 131257762) is ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate is CCOC(=O)c1nc2c(Cl)nccc2[nH]1.
What is the InChIKey of ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is UDEKOEMOMIBQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-12-5-3-4-11-7(10)6(5)13-8/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate?
ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 225.63 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 131257762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).