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

C9H8F2N2O — CID 130077908

IUPAC6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
SMILESCOc1cc(C#N)c(C)nc1C(F)F
InChIInChI=1S/C9H8F2N2O/c1-5-6(4-12)3-7(14-2)8(13-5)9(10)11/h3,9H,1-2H3
InChIKeyVPOLKLFRMMGURN-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.21
Rot. Bonds2

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

6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile (PubChem CID 130077908) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
PubChem CID130077908
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
SMILESCOc1cc(C#N)c(C)nc1C(F)F
InChIInChI=1S/C9H8F2N2O/c1-5-6(4-12)3-7(14-2)8(13-5)9(10)11/h3,9H,1-2H3
InChIKeyVPOLKLFRMMGURN-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-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
CID 130068654
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-sulfonamide
CID 118826062
5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130103305

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile (CID 130077908) is 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile is COc1cc(C#N)c(C)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile?
The InChIKey is VPOLKLFRMMGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-6(4-12)3-7(14-2)8(13-5)9(10)11/h3,9H,1-2H3.
What are the key properties of 6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile?
6-(difluoromethyl)-5-methoxy-2-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)-5-methoxy-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130077908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).