3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile

C13H9ClN2OS — CID 133334332

IUPAC3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
SMILESCOc1cccc(Sc2ccc(Cl)c(C#N)n2)c1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-3-2-4-10(7-9)18-13-6-5-11(14)12(8-15)16-13/h2-7H,1H3
InChIKeyDNOBSRFPNMBIKK-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.77
Rot. Bonds3

About 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile

3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile (PubChem CID 133334332) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
PubChem CID133334332
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile
SMILESCOc1cccc(Sc2ccc(Cl)c(C#N)n2)c1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-3-2-4-10(7-9)18-13-6-5-11(14)12(8-15)16-13/h2-7H,1H3
InChIKeyDNOBSRFPNMBIKK-UHFFFAOYSA-N
XLogP3.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 86072604
4-chloro-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 63092064
4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052296
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
5-amino-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 61297850
3,6-dichloro-2-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 55127840
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
5-(3-methoxyphenyl)sulfanyl-2-nitrobenzonitrile
CID 86220177
3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133331545

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile (CID 133334332) is 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile is COc1cccc(Sc2ccc(Cl)c(C#N)n2)c1.
What is the InChIKey of 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile?
The InChIKey is DNOBSRFPNMBIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-9-3-2-4-10(7-9)18-13-6-5-11(14)12(8-15)16-13/h2-7H,1H3.
What are the key properties of 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile?
3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile has a molecular weight of 276.75 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-methoxyphenyl)sulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 133334332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).