6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile

C8H5F3N2O — CID 118828015

IUPAC6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C#N)cc(C(F)F)nc1F
InChIInChI=1S/C8H5F3N2O/c1-14-6-4(3-12)2-5(7(9)10)13-8(6)11/h2,7H,1H3
InChIKeyHUSZTHAOFNPVHW-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.04
Rot. Bonds2

About 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile

6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile (PubChem CID 118828015) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
PubChem CID118828015
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C#N)cc(C(F)F)nc1F
InChIInChI=1S/C8H5F3N2O/c1-14-6-4(3-12)2-5(7(9)10)13-8(6)11/h2,7H,1H3
InChIKeyHUSZTHAOFNPVHW-UHFFFAOYSA-N
XLogP2.04
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496
ethyl 2-[4-cyano-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133107798
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081
3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
CID 130076141
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118839308
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
6-(difluoromethyl)-2-fluoro-4-methoxypyridin-3-ol
CID 130079256
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile (CID 118828015) is 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile is COc1c(C#N)cc(C(F)F)nc1F.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile?
The InChIKey is HUSZTHAOFNPVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-14-6-4(3-12)2-5(7(9)10)13-8(6)11/h2,7H,1H3.
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile?
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 118828015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).