4-chloro-5-methylpyridine-2-carbonitrile

C7H5ClN2 — CID 75422082

IUPAC4-chloro-5-methylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1Cl
InChIInChI=1S/C7H5ClN2/c1-5-4-10-6(3-9)2-7(5)8/h2,4H,1H3
InChIKeyQJPSMFISXRMBFQ-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-5-methylpyridine-2-carbonitrile

4-chloro-5-methylpyridine-2-carbonitrile (PubChem CID 75422082) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 4-chloro-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-methylpyridine-2-carbonitrile
PubChem CID75422082
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name4-chloro-5-methylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1Cl
InChIInChI=1S/C7H5ClN2/c1-5-4-10-6(3-9)2-7(5)8/h2,4H,1H3
InChIKeyQJPSMFISXRMBFQ-UHFFFAOYSA-N
XLogP1.92
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylpyridine-2-carbonitrile?
The IUPAC name of 4-chloro-5-methylpyridine-2-carbonitrile (CID 75422082) is 4-chloro-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-5-methylpyridine-2-carbonitrile is Cc1cnc(C#N)cc1Cl.
What is the InChIKey of 4-chloro-5-methylpyridine-2-carbonitrile?
The InChIKey is QJPSMFISXRMBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c1-5-4-10-6(3-9)2-7(5)8/h2,4H,1H3.
What are the key properties of 4-chloro-5-methylpyridine-2-carbonitrile?
4-chloro-5-methylpyridine-2-carbonitrile has a molecular weight of 152.58 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 75422082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).