3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one

C12H10ClFN2O — CID 102855893

IUPAC3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one
SMILESNc1cn(Cc2cccc(Cl)c2F)ccc1=O
InChIInChI=1S/C12H10ClFN2O/c13-9-3-1-2-8(12(9)14)6-16-5-4-11(17)10(15)7-16/h1-5,7H,6,15H2
InChIKeyQKYMSQKVUIBUDM-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.27
Rot. Bonds2

About 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one

3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one (PubChem CID 102855893) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one
PubChem CID102855893
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one
SMILESNc1cn(Cc2cccc(Cl)c2F)ccc1=O
InChIInChI=1S/C12H10ClFN2O/c13-9-3-1-2-8(12(9)14)6-16-5-4-11(17)10(15)7-16/h1-5,7H,6,15H2
InChIKeyQKYMSQKVUIBUDM-UHFFFAOYSA-N
XLogP2.27
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-ethyl-6-methyl-4(1H)-pyridinone
CID 3758950
1-(2-chlorobenzyl)-4(1H)-pyridinone
CID 1253322
5-Amino-1-[(3-chlorophenyl)methyl]-1,2-dihydropyridin-2-one hydrochloride
CID 132344101
2-(4-chloro-3-fluorophenyl)-1H-pyridin-4-one
CID 58134347
3-Amino-1-[(2-chloro-6-fluorophenyl)methyl]pyridin-2-one
CID 62100804
6-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-3H-2,6-naphthyridin-4-one
CID 91046137
1-[(3-Chloro-4-fluorophenyl)methyl]pyridin-2-one
CID 102974955
2-(2,3-Dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one
CID 134565241
N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide
CID 140748059
1-[(3-Chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one
CID 145174221
2-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-oxopentyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 157250319
1-(4-Chlorobenzyl)-1,4-dihydronicotinamide
CID 85740020

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one (CID 102855893) is 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one is Nc1cn(Cc2cccc(Cl)c2F)ccc1=O.
What is the InChIKey of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one?
The InChIKey is QKYMSQKVUIBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-3-1-2-8(12(9)14)6-16-5-4-11(17)10(15)7-16/h1-5,7H,6,15H2.
What are the key properties of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one?
3-amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one has a molecular weight of 252.68 g/mol, XLogP of 2.27, 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-chloro-2-fluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 102855893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).