[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol

C14H13N3OS — CID 103385923

IUPAC[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol
SMILESCn1cnc2c(Sc3ccc(CO)cc3)nccc21
InChIInChI=1S/C14H13N3OS/c1-17-9-16-13-12(17)6-7-15-14(13)19-11-4-2-10(8-18)3-5-11/h2-7,9,18H,8H2,1H3
InChIKeyAKVAEUNRSYNDII-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.61
Rot. Bonds3

About [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol

[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol (PubChem CID 103385923) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol
PubChem CID103385923
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol
SMILESCn1cnc2c(Sc3ccc(CO)cc3)nccc21
InChIInChI=1S/C14H13N3OS/c1-17-9-16-13-12(17)6-7-15-14(13)19-11-4-2-10(8-18)3-5-11/h2-7,9,18H,8H2,1H3
InChIKeyAKVAEUNRSYNDII-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol?
The IUPAC name of [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol (CID 103385923) is [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol?
The canonical SMILES for [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol is Cn1cnc2c(Sc3ccc(CO)cc3)nccc21.
What is the InChIKey of [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol?
The InChIKey is AKVAEUNRSYNDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-9-16-13-12(17)6-7-15-14(13)19-11-4-2-10(8-18)3-5-11/h2-7,9,18H,8H2,1H3.
What are the key properties of [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol?
[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol has a molecular weight of 271.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 103385923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).