6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

C8H7F2N3O — CID 118820220

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(C(F)F)c(CN)[nH]1
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-5(3-12)13-4(2-11)1-6(7)14/h1,8H,3,12H2,(H,13,14)
InChIKeyFEZONLPVGFZUBU-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.64
Rot. Bonds2

About 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 118820220) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID118820220
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(C(F)F)c(CN)[nH]1
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-5(3-12)13-4(2-11)1-6(7)14/h1,8H,3,12H2,(H,13,14)
InChIKeyFEZONLPVGFZUBU-UHFFFAOYSA-N
XLogP0.64
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (CID 118820220) is 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)c(C(F)F)c(CN)[nH]1.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is FEZONLPVGFZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)7-5(3-12)13-4(2-11)1-6(7)14/h1,8H,3,12H2,(H,13,14).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 118820220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).