2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile

C8H5ClF2N2 — CID 118998041

IUPAC2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H5ClF2N2/c1-4-2-5(3-12)6(8(10)11)7(9)13-4/h2,8H,1H3
InChIKeyOWMMIKSXULTDLS-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.85
Rot. Bonds1

About 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile

2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile (PubChem CID 118998041) has the molecular formula C8H5ClF2N2 and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
PubChem CID118998041
Molecular FormulaC8H5ClF2N2
Molecular Weight202.59 g/mol
Exact Mass202.01
IUPAC Name2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H5ClF2N2/c1-4-2-5(3-12)6(8(10)11)7(9)13-4/h2,8H,1H3
InChIKeyOWMMIKSXULTDLS-UHFFFAOYSA-N
XLogP2.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.85
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

2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 118817088
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 133107710
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081
2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
CID 119016175
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile (CID 118998041) is 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)c(C(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile?
The InChIKey is OWMMIKSXULTDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2/c1-4-2-5(3-12)6(8(10)11)7(9)13-4/h2,8H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile?
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile has a molecular weight of 202.59 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 118998041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).