4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile

C8H5ClF2N2 — CID 118850677

IUPAC4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2N2/c1-4-6(8(10)11)7(9)5(2-12)3-13-4/h3,8H,1H3
InChIKeyCFQSWTNQHDAXKE-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.85
Rot. Bonds1

About 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile

4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 118850677) has the molecular formula C8H5ClF2N2 and a molecular weight of 202.59 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
PubChem CID118850677
Molecular FormulaC8H5ClF2N2
Molecular Weight202.59 g/mol
Exact Mass202.01
IUPAC Name4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2N2/c1-4-6(8(10)11)7(9)5(2-12)3-13-4/h3,8H,1H3
InChIKeyCFQSWTNQHDAXKE-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

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Related Compounds

6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 130078238
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 130074592
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
CID 118998041
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile (CID 118850677) is 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile is Cc1ncc(C#N)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is CFQSWTNQHDAXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2/c1-4-6(8(10)11)7(9)5(2-12)3-13-4/h3,8H,1H3.
What are the key properties of 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-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 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 118850677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).