4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

C13H7ClN4S — CID 79295482

IUPAC4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
SMILESN#Cc1ccc(Cl)cc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H7ClN4S/c14-9-2-1-8(6-15)12(5-9)18-11-3-4-16-7-10(11)17-13(18)19/h1-5,7H,(H,17,19)
InChIKeyXXBFCMWQCTYUMW-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.61
Rot. Bonds1

About 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile (PubChem CID 79295482) has the molecular formula C13H7ClN4S and a molecular weight of 286.75 g/mol. Its IUPAC name is 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
PubChem CID79295482
Molecular FormulaC13H7ClN4S
Molecular Weight286.75 g/mol
Exact Mass286.01
IUPAC Name4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
SMILESN#Cc1ccc(Cl)cc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H7ClN4S/c14-9-2-1-8(6-15)12(5-9)18-11-3-4-16-7-10(11)17-13(18)19/h1-5,7H,(H,17,19)
InChIKeyXXBFCMWQCTYUMW-UHFFFAOYSA-N
XLogP3.61
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The IUPAC name of 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile (CID 79295482) is 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The canonical SMILES for 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile is N#Cc1ccc(Cl)cc1-n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The InChIKey is XXBFCMWQCTYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4S/c14-9-2-1-8(6-15)12(5-9)18-11-3-4-16-7-10(11)17-13(18)19/h1-5,7H,(H,17,19).
What are the key properties of 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile has a molecular weight of 286.75 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile is sourced from PubChem (CID 79295482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).