2-chloro-6-methylpyridine-3-carbonitrile

C7H5ClN2 — CID 520400

IUPAC2-chloro-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKeyYSBNBAYNISAUIT-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.92
Rot. Bonds

About 2-chloro-6-methylpyridine-3-carbonitrile

2-chloro-6-methylpyridine-3-carbonitrile (PubChem CID 520400) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-methylpyridine-3-carbonitrile
PubChem CID520400
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name2-chloro-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKeyYSBNBAYNISAUIT-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-methylpyridine-3-carbonitrile (CID 520400) is 2-chloro-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methylpyridine-3-carbonitrile?
The InChIKey is YSBNBAYNISAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3.
What are the key properties of 2-chloro-6-methylpyridine-3-carbonitrile?
2-chloro-6-methylpyridine-3-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-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 520400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).