3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile

C8H7F2N3O — CID 130103577

IUPAC3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(CO)nc(C(F)F)c1N
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-6(12)4(2-11)1-5(3-14)13-7/h1,8,14H,3,12H2
InChIKeyJECQQFMNPRURAR-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.97
Rot. Bonds2

About 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile

3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile (PubChem CID 130103577) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile
PubChem CID130103577
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(CO)nc(C(F)F)c1N
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-6(12)4(2-11)1-5(3-14)13-7/h1,8,14H,3,12H2
InChIKeyJECQQFMNPRURAR-UHFFFAOYSA-N
XLogP0.97
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile (CID 130103577) is 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile is N#Cc1cc(CO)nc(C(F)F)c1N.
What is the InChIKey of 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile?
The InChIKey is JECQQFMNPRURAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)7-6(12)4(2-11)1-5(3-14)13-7/h1,8,14H,3,12H2.
What are the key properties of 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile?
3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130103577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).