4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile

C13H12ClN3 — CID 160905410

IUPAC4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)ccn1.Cc1cc(Cl)ccn1
InChIInChI=1S/C7H6N2.C6H6ClN/c1-6-4-7(5-8)2-3-9-6;1-5-4-6(7)2-3-8-5/h2-4H,1H3;2-4H,1H3
InChIKeySQBPUTIPTVUGCA-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.31
Rot. Bonds

About 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile

4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile (PubChem CID 160905410) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
PubChem CID160905410
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)ccn1.Cc1cc(Cl)ccn1
InChIInChI=1S/C7H6N2.C6H6ClN/c1-6-4-7(5-8)2-3-9-6;1-5-4-6(7)2-3-8-5/h2-4H,1H3;2-4H,1H3
InChIKeySQBPUTIPTVUGCA-UHFFFAOYSA-N
XLogP3.31
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpyridine-4-carbonitrile
CID 118703758
4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 79245492
2-(1-chloroethyl)pyridine-4-carbonitrile
CID 72583051
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 55021440
2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487252
sodium;4-cyanopyridine-2-sulfonic acid;hydride
CID 173157024
2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile
CID 79106792
4-[(4-chloro-2-pyridinyl)sulfanylmethyl]benzonitrile
CID 71303032
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 60793561
2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile
CID 121337972

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile?
The IUPAC name of 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile (CID 160905410) is 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile.
What is the SMILES notation for 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile?
The canonical SMILES for 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile is Cc1cc(C#N)ccn1.Cc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile?
The InChIKey is SQBPUTIPTVUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H6ClN/c1-6-4-7(5-8)2-3-9-6;1-5-4-6(7)2-3-8-5/h2-4H,1H3;2-4H,1H3.
What are the key properties of 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile?
4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile has a molecular weight of 245.71 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile is sourced from PubChem (CID 160905410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).