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

C9H8F2N2O — CID 118839081

IUPAC2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
SMILESCOc1c(C#N)cc(C)nc1C(F)F
InChIInChI=1S/C9H8F2N2O/c1-5-3-6(4-12)8(14-2)7(13-5)9(10)11/h3,9H,1-2H3
InChIKeyALZGCCZVHPORPL-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.21
Rot. Bonds2

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

2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile (PubChem CID 118839081) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
PubChem CID118839081
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
SMILESCOc1c(C#N)cc(C)nc1C(F)F
InChIInChI=1S/C9H8F2N2O/c1-5-3-6(4-12)8(14-2)7(13-5)9(10)11/h3,9H,1-2H3
InChIKeyALZGCCZVHPORPL-UHFFFAOYSA-N
XLogP2.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-3-methoxy-4,6-dimethylpyridine
CID 130101193
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
CID 118828015
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-(difluoromethyl)-4-methoxy-3,6-dimethylpyridine
CID 130101198
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
CID 118998041
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 133107710
ethyl 2-[4-cyano-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133107798
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile (CID 118839081) is 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile is COc1c(C#N)cc(C)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile?
The InChIKey is ALZGCCZVHPORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-3-6(4-12)8(14-2)7(13-5)9(10)11/h3,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile?
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile has a molecular weight of 198.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 118839081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).