3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one

C12H10F2N2O — CID 105403383

IUPAC3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2cc(F)cc(F)c2)c1=O
InChIInChI=1S/C12H10F2N2O/c13-9-4-8(5-10(14)6-9)7-16-3-1-2-11(15)12(16)17/h1-6H,7,15H2
InChIKeyVYYIGEMFBPGGPF-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.76
Rot. Bonds2

About 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one

3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one (PubChem CID 105403383) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
PubChem CID105403383
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2cc(F)cc(F)c2)c1=O
InChIInChI=1S/C12H10F2N2O/c13-9-4-8(5-10(14)6-9)7-16-3-1-2-11(15)12(16)17/h1-6H,7,15H2
InChIKeyVYYIGEMFBPGGPF-UHFFFAOYSA-N
XLogP1.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(3-bromo-5-fluorophenyl)methyl]pyridin-2-one
CID 79710063
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
3-amino-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 65478210
3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one
CID 165483394
1-[(3-bromo-5-fluorophenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017898
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 55035658
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
1-[(3-amino-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114650238
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
CID 146348514

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one (CID 105403383) is 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one is Nc1cccn(Cc2cc(F)cc(F)c2)c1=O.
What is the InChIKey of 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is VYYIGEMFBPGGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-4-8(5-10(14)6-9)7-16-3-1-2-11(15)12(16)17/h1-6H,7,15H2.
What are the key properties of 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one?
3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 236.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 105403383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).