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

C8H7F2N3O — CID 130076573

IUPAC3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(C(F)F)cc(=O)c1CN
InChIInChI=1S/C8H7F2N3O/c9-8(10)5-1-7(14)4(2-11)6(3-12)13-5/h1,8H,2,11H2,(H,13,14)
InChIKeyYMJPGHYZPIFPMO-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.64
Rot. Bonds2

About 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130076573) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID130076573
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(C(F)F)cc(=O)c1CN
InChIInChI=1S/C8H7F2N3O/c9-8(10)5-1-7(14)4(2-11)6(3-12)13-5/h1,8H,2,11H2,(H,13,14)
InChIKeyYMJPGHYZPIFPMO-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 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (CID 130076573) is 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(C(F)F)cc(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is YMJPGHYZPIFPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)5-1-7(14)4(2-11)6(3-12)13-5/h1,8H,2,11H2,(H,13,14).
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
3-(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 3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).