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

C7H9F2N3O — CID 118822214

IUPAC4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O/c8-6(9)5-4(11)1-3(2-10)12-7(5)13/h1,6H,2,10H2,(H3,11,12,13)
InChIKeySUNNNDDEXHUXOR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.35
Rot. Bonds2

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

4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118822214) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118822214
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O/c8-6(9)5-4(11)1-3(2-10)12-7(5)13/h1,6H,2,10H2,(H3,11,12,13)
InChIKeySUNNNDDEXHUXOR-UHFFFAOYSA-N
XLogP0.35
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one (CID 118822214) is 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one is NCc1cc(N)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is SUNNNDDEXHUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-6(9)5-4(11)1-3(2-10)12-7(5)13/h1,6H,2,10H2,(H3,11,12,13).
What are the key properties of 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one?
4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 189.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(aminomethyl)-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).