6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile

C9H8F2N2O2 — CID 119001977

IUPAC6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
SMILESCOc1cc(CO)c(C#N)nc1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-7-2-5(4-14)6(3-12)13-8(7)9(10)11/h2,9,14H,4H2,1H3
InChIKeyXDRHRHOWIRHTQL-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.39
Rot. Bonds3

About 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile

6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile (PubChem CID 119001977) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
PubChem CID119001977
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
SMILESCOc1cc(CO)c(C#N)nc1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-7-2-5(4-14)6(3-12)13-8(7)9(10)11/h2,9,14H,4H2,1H3
InChIKeyXDRHRHOWIRHTQL-UHFFFAOYSA-N
XLogP1.39
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 130068895
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
CID 130078046
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
CID 130076438
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile
CID 55253048

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile (CID 119001977) is 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile is COc1cc(CO)c(C#N)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile?
The InChIKey is XDRHRHOWIRHTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-7-2-5(4-14)6(3-12)13-8(7)9(10)11/h2,9,14H,4H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile?
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile has a molecular weight of 214.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 119001977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).