1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid

C13H10BrNO4 — CID 82108224

IUPAC1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrNO4/c14-11-4-1-9(2-5-11)8-19-15-7-10(13(17)18)3-6-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyBIKFLDRENSEXOT-UHFFFAOYSA-N
MW324.13 g/mol
LogP1.94
Rot. Bonds4

About 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid

1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid (PubChem CID 82108224) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
PubChem CID82108224
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrNO4/c14-11-4-1-9(2-5-11)8-19-15-7-10(13(17)18)3-6-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyBIKFLDRENSEXOT-UHFFFAOYSA-N
XLogP1.94
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid (CID 82108224) is 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(OCc2ccc(Br)cc2)c1.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The InChIKey is BIKFLDRENSEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-11-4-1-9(2-5-11)8-19-15-7-10(13(17)18)3-6-12(15)16/h1-7H,8H2,(H,17,18).
What are the key properties of 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).