5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile

C9H8F2N2O2 — CID 130078046

IUPAC5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(CO)c1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-7-2-5(3-12)13-6(4-14)8(7)9(10)11/h2,9,14H,4H2,1H3
InChIKeyAQFJQVRCOCPVFR-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.39
Rot. Bonds3

About 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile

5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile (PubChem CID 130078046) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
PubChem CID130078046
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(CO)c1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-7-2-5(3-12)13-6(4-14)8(7)9(10)11/h2,9,14H,4H2,1H3
InChIKeyAQFJQVRCOCPVFR-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)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118804353
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130103305
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
CID 130087789
4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130096001

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile (CID 130078046) is 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile is COc1cc(C#N)nc(CO)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile?
The InChIKey is AQFJQVRCOCPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-7-2-5(3-12)13-6(4-14)8(7)9(10)11/h2,9,14H,4H2,1H3.
What are the key properties of 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile?
5-(difluoromethyl)-6-(hydroxymethyl)-4-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 5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130078046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).