2-chloro-3-methylpyridine-4-carbonitrile

C7H5ClN2 — CID 58188815

IUPAC2-chloro-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1Cl
InChIInChI=1S/C7H5ClN2/c1-5-6(4-9)2-3-10-7(5)8/h2-3H,1H3
InChIKeyWXJBHUPGGAIECE-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.92
Rot. Bonds

About 2-chloro-3-methylpyridine-4-carbonitrile

2-chloro-3-methylpyridine-4-carbonitrile (PubChem CID 58188815) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-3-methylpyridine-4-carbonitrile
PubChem CID58188815
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name2-chloro-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1Cl
InChIInChI=1S/C7H5ClN2/c1-5-6(4-9)2-3-10-7(5)8/h2-3H,1H3
InChIKeyWXJBHUPGGAIECE-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

Computed Properties (RDKit)

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

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Related Compounds

CID 7963
CID 7963
CID 79
CID 79
CID 7506
CID 7506
CID 7977
CID 7977
CID 23394
CID 23394
CID 23905
CID 23905
CID 11417
CID 11417
CID 50293
CID 50293
CID 92342
CID 92342
CID 11094883
CID 11094883
CID 18358
CID 18358
CID 223261
CID 223261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-chloro-3-methylpyridine-4-carbonitrile (CID 58188815) is 2-chloro-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-3-methylpyridine-4-carbonitrile is Cc1c(C#N)ccnc1Cl.
What is the InChIKey of 2-chloro-3-methylpyridine-4-carbonitrile?
The InChIKey is WXJBHUPGGAIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c1-5-6(4-9)2-3-10-7(5)8/h2-3H,1H3.
What are the key properties of 2-chloro-3-methylpyridine-4-carbonitrile?
2-chloro-3-methylpyridine-4-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 2-chloro-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 58188815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).