5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile

C9H8F2N2O2 — CID 130078069

IUPAC5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1c(C#N)cnc(CO)c1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-8-5(2-12)3-13-6(4-14)7(8)9(10)11/h3,9,14H,4H2,1H3
InChIKeyXLOZOZNVRQIFOZ-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.39
Rot. Bonds3

About 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile

5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile (PubChem CID 130078069) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
PubChem CID130078069
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1c(C#N)cnc(CO)c1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-8-5(2-12)3-13-6(4-14)7(8)9(10)11/h3,9,14H,4H2,1H3
InChIKeyXLOZOZNVRQIFOZ-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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile (CID 130078069) is 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile is COc1c(C#N)cnc(CO)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile?
The InChIKey is XLOZOZNVRQIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-8-5(2-12)3-13-6(4-14)7(8)9(10)11/h3,9,14H,4H2,1H3.
What are the key properties of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile?
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-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 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130078069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).