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

C9H8F2N2O — CID 130077872

IUPAC4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(C)c(C#N)n1
InChIInChI=1S/C9H8F2N2O/c1-5-6(9(10)11)3-8(14-2)13-7(5)4-12/h3,9H,1-2H3
InChIKeyVKXXAJLMAAZSBI-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.21
Rot. Bonds2

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

4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile (PubChem CID 130077872) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
PubChem CID130077872
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(C)c(C#N)n1
InChIInChI=1S/C9H8F2N2O/c1-5-6(9(10)11)3-8(14-2)13-7(5)4-12/h3,9H,1-2H3
InChIKeyVKXXAJLMAAZSBI-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

4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
CID 118995379
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carboxamide
CID 118840796
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134676477
4-(difluoromethyl)-6-methoxy-2-methylpyridin-3-amine
CID 130105832

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile (CID 130077872) is 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile is COc1cc(C(F)F)c(C)c(C#N)n1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile?
The InChIKey is VKXXAJLMAAZSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-6(9(10)11)3-8(14-2)13-7(5)4-12/h3,9H,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile?
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-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 4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130077872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).