2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile

C11H7ClN4S — CID 83076451

IUPAC2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile
SMILESCc1cnc(Sc2cc(C#N)cc(Cl)n2)nc1
InChIInChI=1S/C11H7ClN4S/c1-7-5-14-11(15-6-7)17-10-3-8(4-13)2-9(12)16-10/h2-3,5-6H,1H3
InChIKeyVTPVKCOCYCAFIU-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.86
Rot. Bonds2

About 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile

2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile (PubChem CID 83076451) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile
PubChem CID83076451
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC Name2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile
SMILESCc1cnc(Sc2cc(C#N)cc(Cl)n2)nc1
InChIInChI=1S/C11H7ClN4S/c1-7-5-14-11(15-6-7)17-10-3-8(4-13)2-9(12)16-10/h2-3,5-6H,1H3
InChIKeyVTPVKCOCYCAFIU-UHFFFAOYSA-N
XLogP2.86
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile (CID 83076451) is 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile is Cc1cnc(Sc2cc(C#N)cc(Cl)n2)nc1.
What is the InChIKey of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile?
The InChIKey is VTPVKCOCYCAFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c1-7-5-14-11(15-6-7)17-10-3-8(4-13)2-9(12)16-10/h2-3,5-6H,1H3.
What are the key properties of 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile?
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile has a molecular weight of 262.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 83076451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).