3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one

C7H7ClF2N2O — CID 130072419

IUPAC3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1c(C(F)F)[nH]c(Cl)cc1=O
InChIInChI=1S/C7H7ClF2N2O/c8-5-1-4(13)3(2-11)6(12-5)7(9)10/h1,7H,2,11H2,(H,12,13)
InChIKeyJJPQDELFYAQIOB-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.42
Rot. Bonds2

About 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one

3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130072419) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130072419
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one
SMILESNCc1c(C(F)F)[nH]c(Cl)cc1=O
InChIInChI=1S/C7H7ClF2N2O/c8-5-1-4(13)3(2-11)6(12-5)7(9)10/h1,7H,2,11H2,(H,12,13)
InChIKeyJJPQDELFYAQIOB-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(Aminomethyl)-6-chloro-3-(difluoromethyl)-4-hydroxypyridine
CID 118825648
2-(Aminomethyl)-3-(difluoromethyl)-6-fluoro-4-hydroxypyridine
CID 118836693
2-Chloro-6-(difluoromethyl)-4-hydroxynicotinamide
CID 119005211
2-Amino-3-(aminomethyl)-6-(difluoromethyl)pyridin-4-ol
CID 119009483
6-chloro-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130072311
6-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 130072313
3-(aminomethyl)-2-chloro-6-(difluoromethyl)-1H-pyridin-4-one
CID 130072395
3-(aminomethyl)-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130072403
5-(aminomethyl)-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130072408
6-chloro-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 130072933
3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076573
5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076599

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one (CID 130072419) is 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one is NCc1c(C(F)F)[nH]c(Cl)cc1=O.
What is the InChIKey of 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is JJPQDELFYAQIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-5-1-4(13)3(2-11)6(12-5)7(9)10/h1,7H,2,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 208.59 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-chloro-2-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130072419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).