3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one

C7H7F3N2O — CID 130079387

IUPAC3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
SMILESNCc1c(F)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H7F3N2O/c8-5-3(1-11)7(13)12-2-4(5)6(9)10/h2,6H,1,11H2,(H,12,13)
InChIKeyYUXPRSQIYNVILG-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

About 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one

3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one (PubChem CID 130079387) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
PubChem CID130079387
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
SMILESNCc1c(F)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H7F3N2O/c8-5-3(1-11)7(13)12-2-4(5)6(9)10/h2,6H,1,11H2,(H,12,13)
InChIKeyYUXPRSQIYNVILG-UHFFFAOYSA-N
XLogP0.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
methyl 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
CID 130079323
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084648
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one (CID 130079387) is 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one is NCc1c(F)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one?
The InChIKey is YUXPRSQIYNVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-5-3(1-11)7(13)12-2-4(5)6(9)10/h2,6H,1,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one?
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130079387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).