2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile

C12H6BrClN2S — CID 107060721

IUPAC2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2Br)c1Cl
InChIInChI=1S/C12H6BrClN2S/c13-9-3-1-2-4-10(9)17-12-11(14)8(7-15)5-6-16-12/h1-6H
InChIKeyPSHSGQMDCITUFN-UHFFFAOYSA-N
MW325.62 g/mol
LogP4.52
Rot. Bonds2

About 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile

2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile (PubChem CID 107060721) has the molecular formula C12H6BrClN2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
PubChem CID107060721
Molecular FormulaC12H6BrClN2S
Molecular Weight325.62 g/mol
Exact Mass323.91
IUPAC Name2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2Br)c1Cl
InChIInChI=1S/C12H6BrClN2S/c13-9-3-1-2-4-10(9)17-12-11(14)8(7-15)5-6-16-12/h1-6H
InChIKeyPSHSGQMDCITUFN-UHFFFAOYSA-N
XLogP4.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
CID 107060679
3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile
CID 107060763
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 107061618
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
CID 107060790
3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile
CID 82813835
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059255
3-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059253
2-bromo-6-(2-bromophenyl)sulfanylbenzonitrile
CID 114884190
5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine
CID 103583827
2-[5-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]tetrazol-1-yl]acetic acid
CID 107059289
6-(2-bromophenyl)sulfanylpyridine-3-carbonitrile
CID 43236174
3-bromo-2-chloropyridine-4-carbonitrile
CID 130749452

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile (CID 107060721) is 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(Sc2ccccc2Br)c1Cl.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile?
The InChIKey is PSHSGQMDCITUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2S/c13-9-3-1-2-4-10(9)17-12-11(14)8(7-15)5-6-16-12/h1-6H.
What are the key properties of 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile?
2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile has a molecular weight of 325.62 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107060721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).