4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride

C12H11BrClFN2O — CID 22050881

IUPAC4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
SMILESCl.Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br
InChIInChI=1S/C12H10BrFN2O.ClH/c13-11-10(15)4-5-16(12(11)17)7-8-2-1-3-9(14)6-8;/h1-6H,7,15H2;1H
InChIKeyNAXRYHCEFVCGQE-UHFFFAOYSA-N
MW333.59 g/mol
LogP2.80
Rot. Bonds2

About 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride

4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride (PubChem CID 22050881) has the molecular formula C12H11BrClFN2O and a molecular weight of 333.59 g/mol. Its IUPAC name is 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
PubChem CID22050881
Molecular FormulaC12H11BrClFN2O
Molecular Weight333.59 g/mol
Exact Mass331.97
IUPAC Name4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
SMILESCl.Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br
InChIInChI=1S/C12H10BrFN2O.ClH/c13-11-10(15)4-5-16(12(11)17)7-8-2-1-3-9(14)6-8;/h1-6H,7,15H2;1H
InChIKeyNAXRYHCEFVCGQE-UHFFFAOYSA-N
XLogP2.80
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride (CID 22050881) is 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride is Cl.Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br.
What is the InChIKey of 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride?
The InChIKey is NAXRYHCEFVCGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O.ClH/c13-11-10(15)4-5-16(12(11)17)7-8-2-1-3-9(14)6-8;/h1-6H,7,15H2;1H.
What are the key properties of 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride?
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride has a molecular weight of 333.59 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 22050881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).