methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate

C13H10ClN3O2S — CID 167765692

IUPACmethyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1csc(-c2nc3ccncc3n2C)c1Cl
InChIInChI=1S/C13H10ClN3O2S/c1-17-9-5-15-4-3-8(9)16-12(17)11-10(14)7(6-20-11)13(18)19-2/h3-6H,1-2H3
InChIKeyYDBOPCSOWRLFHO-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.14
Rot. Bonds2

About methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate

methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate (PubChem CID 167765692) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate
PubChem CID167765692
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Namemethyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1csc(-c2nc3ccncc3n2C)c1Cl
InChIInChI=1S/C13H10ClN3O2S/c1-17-9-5-15-4-3-8(9)16-12(17)11-10(14)7(6-20-11)13(18)19-2/h3-6H,1-2H3
InChIKeyYDBOPCSOWRLFHO-UHFFFAOYSA-N
XLogP3.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
CID 114793213
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
methyl 4-chloro-5-(7H-purin-8-yl)thiophene-3-carboxylate
CID 167917296
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 4-methylpyridine-3-carboxylate
CID 10877301
2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
CID 167895828
4-iodo-2-(3-methylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136885922
3-fluoro-2-(3-methylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136959759
ethyl 3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylate
CID 167963488
2-(2-fluorophenyl)-3-methylimidazo[4,5-c]pyridine
CID 70925257
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
N-(2-methoxyethyl)-3-[(3-methylimidazo[4,5-c]pyridin-2-yl)amino]propanamide
CID 155958658

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate (CID 167765692) is methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate is COC(=O)c1csc(-c2nc3ccncc3n2C)c1Cl.
What is the InChIKey of methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate?
The InChIKey is YDBOPCSOWRLFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-17-9-5-15-4-3-8(9)16-12(17)11-10(14)7(6-20-11)13(18)19-2/h3-6H,1-2H3.
What are the key properties of methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate?
methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate has a molecular weight of 307.76 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-(3-methylimidazo[4,5-c]pyridin-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 167765692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).