5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid

C14H11BrFNO3 — CID 58110786

IUPAC5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESC[C@@H](c1ccc(F)cc1)n1cc(C(=O)O)cc(Br)c1=O
InChIInChI=1S/C14H11BrFNO3/c1-8(9-2-4-11(16)5-3-9)17-7-10(14(19)20)6-12(15)13(17)18/h2-8H,1H3,(H,19,20)/t8-/m0/s1
InChIKeyHJZRGRBHYQJCTD-QMMMGPOBSA-N
MW340.15 g/mol
LogP3.06
Rot. Bonds3

About 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid

5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 58110786) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID58110786
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESC[C@@H](c1ccc(F)cc1)n1cc(C(=O)O)cc(Br)c1=O
InChIInChI=1S/C14H11BrFNO3/c1-8(9-2-4-11(16)5-3-9)17-7-10(14(19)20)6-12(15)13(17)18/h2-8H,1H3,(H,19,20)/t8-/m0/s1
InChIKeyHJZRGRBHYQJCTD-QMMMGPOBSA-N
XLogP3.06
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764224
Methyl 5-bromo-6-oxo-1-(2-phenylethyl)-1,6-dihydropyridine-3-carboxylate
CID 661209
Methyl 5-bromo-1-[2-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 660131
6-Oxo-1-[3-(Trifluoromethyl)Benzyl]-1,6-Dihydro-3-Pyridinecarboxylic Acid
CID 2775909
1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 18179616
1-[2-(Azepan-1-yl)-2-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 110129644
1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896680
1-(2-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896681
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764857
6-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,6-Dihydro-3-Pyridinecarboxylic Acid
CID 2775910
3-bromo-1-(3-fluorobenzyl)-4-hydroxy-1H-pyridin-2-one
CID 54724177
3-bromo-1-(3-fluorobenzyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54724200

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid (CID 58110786) is 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid is C[C@@H](c1ccc(F)cc1)n1cc(C(=O)O)cc(Br)c1=O.
What is the InChIKey of 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is HJZRGRBHYQJCTD-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-8(9-2-4-11(16)5-3-9)17-7-10(14(19)20)6-12(15)13(17)18/h2-8H,1H3,(H,19,20)/t8-/m0/s1.
What are the key properties of 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 340.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58110786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).