6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine

C14H12ClN3OS — CID 14762716

IUPAC6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(SC)ccc1-c1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C14H12ClN3OS/c1-19-12-6-9(20-2)3-4-10(12)13-17-11-5-8(15)7-16-14(11)18-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyMSFRUJNJMYEHFC-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.01
Rot. Bonds3

About 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine

6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 14762716) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID14762716
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(SC)ccc1-c1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C14H12ClN3OS/c1-19-12-6-9(20-2)3-4-10(12)13-17-11-5-8(15)7-16-14(11)18-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyMSFRUJNJMYEHFC-UHFFFAOYSA-N
XLogP4.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795352
3-methoxy-4-(7H-purin-8-yl)benzoic acid
CID 13284530
6-imidazol-1-yl-2-(2-methoxy-4-methylsulfanylphenyl)-1H-benzimidazole
CID 10449675
2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
CID 64723337
2-(4-bromo-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 113296104
2-(4,6-dimethoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 14369069
2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 159693643
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450837
2-chloro-8-(2-methoxyphenyl)-7H-purine
CID 24904038
2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
CID 3266811
2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137085
8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine (CID 14762716) is 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine is COc1cc(SC)ccc1-c1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is MSFRUJNJMYEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-19-12-6-9(20-2)3-4-10(12)13-17-11-5-8(15)7-16-14(11)18-13/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine?
6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 305.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 14762716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).