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

C8H7F2N3O — CID 130103591

IUPAC5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)c(N)cc1C(F)F
InChIInChI=1S/C8H7F2N3O/c9-8(10)4-1-5(12)7(3-14)13-6(4)2-11/h1,8,14H,3,12H2
InChIKeyOPGQBBDJVSGJMH-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile

5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130103591) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130103591
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)c(N)cc1C(F)F
InChIInChI=1S/C8H7F2N3O/c9-8(10)4-1-5(12)7(3-14)13-6(4)2-11/h1,8,14H,3,12H2
InChIKeyOPGQBBDJVSGJMH-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 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (CID 130103591) is 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1nc(CO)c(N)cc1C(F)F.
What is the InChIKey of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is OPGQBBDJVSGJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)4-1-5(12)7(3-14)13-6(4)2-11/h1,8,14H,3,12H2.
What are the key properties of 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-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 5-amino-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130103591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).