6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one

C7H7ClF2N2O — CID 118803101

IUPAC6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(C(F)F)cc1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyDWFBDOYBZMRYOL-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.42
Rot. Bonds2

About 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one

6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118803101) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118803101
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(C(F)F)cc1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyDWFBDOYBZMRYOL-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

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one (CID 118803101) is 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one is NCc1[nH]c(=O)c(C(F)F)cc1Cl.
What is the InChIKey of 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is DWFBDOYBZMRYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13).
What are the key properties of 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-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 6-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118803101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).