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

C9H8F2N2O — CID 119010367

IUPAC5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
SMILESCOc1c(C(F)F)cnc(C#N)c1C
InChIInChI=1S/C9H8F2N2O/c1-5-7(3-12)13-4-6(9(10)11)8(5)14-2/h4,9H,1-2H3
InChIKeyVRHZZCBSVXOKNE-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.21
Rot. Bonds2

About 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile

5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile (PubChem CID 119010367) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
PubChem CID119010367
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
SMILESCOc1c(C(F)F)cnc(C#N)c1C
InChIInChI=1S/C9H8F2N2O/c1-5-7(3-12)13-4-6(9(10)11)8(5)14-2/h4,9H,1-2H3
InChIKeyVRHZZCBSVXOKNE-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

3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 133100528
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile (CID 119010367) is 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile is COc1c(C(F)F)cnc(C#N)c1C.
What is the InChIKey of 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile?
The InChIKey is VRHZZCBSVXOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-7(3-12)13-4-6(9(10)11)8(5)14-2/h4,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile?
5-(difluoromethyl)-4-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 5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 119010367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).