2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile

C₉H₈F₂N₂O — CID 118822625

About 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile

2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile (PubChem CID 118822625) has the molecular formula C₉H₈F₂N₂O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
• PubChem CID: 118822625
• Molecular Formula: C₉H₈F₂N₂O
• Molecular Weight: 198.17 g/mol
• Exact Mass: 198.06
• IUPAC Name: 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
• SMILES: Cc1cnc(C(F)F)c(CO)c1C#N
• InChI: InChI=1S/C9H8F2N2O/c1-5-3-13-8(9(10)11)7(4-14)6(5)2-12/h3,9,14H,4H2,1H3
• InChIKey: SLBFPPOIPVJXEI-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 56.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.17
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile?

The IUPAC name of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile (CID 118822625) is 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile.

What is the SMILES notation for 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile?

The canonical SMILES for 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile is Cc1cnc(C(F)F)c(CO)c1C#N.

What is the InChIKey of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile?

The InChIKey is SLBFPPOIPVJXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-3-13-8(9(10)11)7(4-14)6(5)2-12/h3,9,14H,4H2,1H3.

What are the key properties of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile?

2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-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)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile is sourced from PubChem (CID 118822625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118822625 — identifiers, structure, computed properties (public domain)

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