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

C8H7F2N3O — CID 130076599

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(CN)c(C(F)F)[nH]1
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-5(3-12)6(14)1-4(2-11)13-7/h1,8H,3,12H2,(H,13,14)
InChIKeyUYVZPAFIVOXOON-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.64
Rot. Bonds2

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

5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130076599) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID130076599
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)c(CN)c(C(F)F)[nH]1
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-5(3-12)6(14)1-4(2-11)13-7/h1,8H,3,12H2,(H,13,14)
InChIKeyUYVZPAFIVOXOON-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 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (CID 130076599) is 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)c(CN)c(C(F)F)[nH]1.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is UYVZPAFIVOXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)7-5(3-12)6(14)1-4(2-11)13-7/h1,8H,3,12H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
5-(aminomethyl)-6-(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 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).