3,5-difluoro-4-(methylamino)-1H-pyridin-2-one

C6H6F2N2O — CID 177301501

IUPAC3,5-difluoro-4-(methylamino)-1H-pyridin-2-one
SMILESCNc1c(F)c[nH]c(=O)c1F
InChIInChI=1S/C6H6F2N2O/c1-9-5-3(7)2-10-6(11)4(5)8/h2H,1H3,(H2,9,10,11)
InChIKeyAIRVCMLTJGPJKD-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.69
Rot. Bonds1

About 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one

3,5-difluoro-4-(methylamino)-1H-pyridin-2-one (PubChem CID 177301501) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-1H-pyridin-2-one
PubChem CID177301501
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3,5-difluoro-4-(methylamino)-1H-pyridin-2-one
SMILESCNc1c(F)c[nH]c(=O)c1F
InChIInChI=1S/C6H6F2N2O/c1-9-5-3(7)2-10-6(11)4(5)8/h2H,1H3,(H2,9,10,11)
InChIKeyAIRVCMLTJGPJKD-UHFFFAOYSA-N
XLogP0.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one (CID 177301501) is 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one is CNc1c(F)c[nH]c(=O)c1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one?
The InChIKey is AIRVCMLTJGPJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-9-5-3(7)2-10-6(11)4(5)8/h2H,1H3,(H2,9,10,11).
What are the key properties of 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one?
3,5-difluoro-4-(methylamino)-1H-pyridin-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-1H-pyridin-2-one is sourced from PubChem (CID 177301501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).