5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile

C12H8ClN3S — CID 103470794

IUPAC5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2ccccc2Cl)c(N)c1
InChIInChI=1S/C12H8ClN3S/c13-9-3-1-2-4-11(9)17-12-10(15)5-8(6-14)7-16-12/h1-5,7H,15H2
InChIKeyUNBONGMWULIGMY-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.34
Rot. Bonds2

About 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile

5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 103470794) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
PubChem CID103470794
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2ccccc2Cl)c(N)c1
InChIInChI=1S/C12H8ClN3S/c13-9-3-1-2-4-11(9)17-12-10(15)5-8(6-14)7-16-12/h1-5,7H,15H2
InChIKeyUNBONGMWULIGMY-UHFFFAOYSA-N
XLogP3.34
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470786
5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
CID 103470800
5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
CID 107748198
3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
CID 102761364
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705
5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 55809433
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
CID 10249651
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
CID 66318492
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
CID 82235546

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile (CID 103470794) is 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile is N#Cc1cnc(Sc2ccccc2Cl)c(N)c1.
What is the InChIKey of 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is UNBONGMWULIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-9-3-1-2-4-11(9)17-12-10(15)5-8(6-14)7-16-12/h1-5,7H,15H2.
What are the key properties of 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile?
5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 261.74 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 103470794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).