2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile

C9H8F2N2O — CID 130078321

IUPAC2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(CO)c(C#N)c(C(F)F)n1
InChIInChI=1S/C9H8F2N2O/c1-5-2-6(4-14)7(3-12)8(13-5)9(10)11/h2,9,14H,4H2,1H3
InChIKeySWYFJNXCZDEROG-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.69
Rot. Bonds2

About 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile

2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 130078321) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID130078321
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(CO)c(C#N)c(C(F)F)n1
InChIInChI=1S/C9H8F2N2O/c1-5-2-6(4-14)7(3-12)8(13-5)9(10)11/h2,9,14H,4H2,1H3
InChIKeySWYFJNXCZDEROG-UHFFFAOYSA-N
XLogP1.69
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134662530
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
CID 118851689
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081
methyl 2-[3-cyano-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134686464

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile (CID 130078321) is 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile is Cc1cc(CO)c(C#N)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is SWYFJNXCZDEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-2-6(4-14)7(3-12)8(13-5)9(10)11/h2,9,14H,4H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile?
2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 198.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).