3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile

C10H5ClN4S — CID 107060763

IUPAC3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccncn2)c1Cl
InChIInChI=1S/C10H5ClN4S/c11-9-7(5-12)1-4-14-10(9)16-8-2-3-13-6-15-8/h1-4,6H
InChIKeyJHVPXDXNWOYZIM-UHFFFAOYSA-N
MW248.70 g/mol
LogP2.55
Rot. Bonds2

About 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile

3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile (PubChem CID 107060763) has the molecular formula C10H5ClN4S and a molecular weight of 248.70 g/mol. Its IUPAC name is 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile
PubChem CID107060763
Molecular FormulaC10H5ClN4S
Molecular Weight248.70 g/mol
Exact Mass247.99
IUPAC Name3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccncn2)c1Cl
InChIInChI=1S/C10H5ClN4S/c11-9-7(5-12)1-4-14-10(9)16-8-2-3-13-6-15-8/h1-4,6H
InChIKeyJHVPXDXNWOYZIM-UHFFFAOYSA-N
XLogP2.55
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
CID 107060679
2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
CID 107060721
4-chloro-5-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63732721
5-(aminomethyl)-2-pyrimidin-4-ylsulfanylbenzonitrile
CID 114063939
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644
5-nitro-2-pyrimidin-4-ylsulfanylbenzonitrile
CID 115501653
5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
CID 115489987
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 107061618
3-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059253
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059255
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
CID 107060790
5-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]-2-fluorobenzoic acid
CID 107059311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile (CID 107060763) is 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile is N#Cc1ccnc(Sc2ccncn2)c1Cl.
What is the InChIKey of 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile?
The InChIKey is JHVPXDXNWOYZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN4S/c11-9-7(5-12)1-4-14-10(9)16-8-2-3-13-6-15-8/h1-4,6H.
What are the key properties of 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile?
3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile has a molecular weight of 248.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 107060763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).