2-chloropyridine-4-carbonitrile

C6H3ClN2 — CID 568638

IUPAC2-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cl)c1
InChIInChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKeyQRXBTPFMCTXCRD-UHFFFAOYSA-N
MW138.56 g/mol
LogP1.61
Rot. Bonds

About 2-chloropyridine-4-carbonitrile

2-chloropyridine-4-carbonitrile (PubChem CID 568638) has the molecular formula C6H3ClN2 and a molecular weight of 138.56 g/mol. Its IUPAC name is 2-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloropyridine-4-carbonitrile
PubChem CID568638
Molecular FormulaC6H3ClN2
Molecular Weight138.56 g/mol
Exact Mass138.00
IUPAC Name2-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cl)c1
InChIInChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKeyQRXBTPFMCTXCRD-UHFFFAOYSA-N
XLogP1.61
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.56
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-Cyanopyridine
CID 79
4-Cyanopyridine
CID 7506
2-Chloropyridine
CID 7977
3-(Chloromethyl)pyridine hydrochloride
CID 23394
2-(3-Pyridinylmethylene)propanedinitrile
CID 23905
3-Chloropyridine
CID 12287
2-Chloro-5-trichloromethylpyridine
CID 50293
2,3-Dichloropyridine
CID 16988
2-Chloro-5-(trifluoromethyl)pyridine
CID 92342
4-Chloropyridine
CID 12288

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine-4-carbonitrile?
The IUPAC name of 2-chloropyridine-4-carbonitrile (CID 568638) is 2-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-chloropyridine-4-carbonitrile is N#Cc1ccnc(Cl)c1.
What is the InChIKey of 2-chloropyridine-4-carbonitrile?
The InChIKey is QRXBTPFMCTXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H.
What are the key properties of 2-chloropyridine-4-carbonitrile?
2-chloropyridine-4-carbonitrile has a molecular weight of 138.56 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine-4-carbonitrile is sourced from PubChem (CID 568638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).