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

C6H6F2N2O — CID 118840236

IUPAC4-amino-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1cc[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)4-3(9)1-2-10-6(4)11/h1-2,5H,(H3,9,10,11)
InChIKeyBNIPOSYKTRRMOL-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.89
Rot. Bonds1

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

4-amino-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118840236) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118840236
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-amino-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1cc[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)4-3(9)1-2-10-6(4)11/h1-2,5H,(H3,9,10,11)
InChIKeyBNIPOSYKTRRMOL-UHFFFAOYSA-N
XLogP0.89
TPSA58.88 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
4-Amino-3-fluoro-2(1H)-pyridinone
CID 13914611
4-Amino-5-fluoropyridin-2(1H)-one
CID 13914612
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
4-Amino-1-(difluoromethyl)-1,2-dihydropyridin-2-one
CID 97617924
4-Amino-2-hydroxynicotinonitrile
CID 18451643
4-Amino-3-methylpyridin-2-ol
CID 67227297
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555
5-Amino-3-(trifluoromethyl)pyridin-2(1H)-one
CID 71305235
5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 71565316
2(1H)-Pyridinone, 3-methyl-4-(trifluoromethyl)-
CID 91570070
5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728235

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-(difluoromethyl)-1H-pyridin-2-one (CID 118840236) is 4-amino-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-(difluoromethyl)-1H-pyridin-2-one is Nc1cc[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-amino-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is BNIPOSYKTRRMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-5(8)4-3(9)1-2-10-6(4)11/h1-2,5H,(H3,9,10,11).
What are the key properties of 4-amino-3-(difluoromethyl)-1H-pyridin-2-one?
4-amino-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118840236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).