6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile

C9H8F2N2O — CID 130077911

IUPAC6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(C)cc1C#N
InChIInChI=1S/C9H8F2N2O/c1-5-3-6(4-12)9(14-2)13-7(5)8(10)11/h3,8H,1-2H3
InChIKeyBUJVMHFDXHNEIT-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.21
Rot. Bonds2

About 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile

6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile (PubChem CID 130077911) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
PubChem CID130077911
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(C)cc1C#N
InChIInChI=1S/C9H8F2N2O/c1-5-3-6(4-12)9(14-2)13-7(5)8(10)11/h3,8H,1-2H3
InChIKeyBUJVMHFDXHNEIT-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

5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
2-(difluoromethyl)-6-methoxy-3,5-dimethylpyridine
CID 130101210
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 133099889
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
2-(difluoromethyl)-6-methoxy-5-methylpyridin-3-amine
CID 130105827

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile (CID 130077911) is 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile is COc1nc(C(F)F)c(C)cc1C#N.
What is the InChIKey of 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile?
The InChIKey is BUJVMHFDXHNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-3-6(4-12)9(14-2)13-7(5)8(10)11/h3,8H,1-2H3.
What are the key properties of 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile?
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-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 6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130077911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).