5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H11BrN2O4 — CID 63998822

IUPAC5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1Br
InChIInChI=1S/C14H11BrN2O4/c1-21-12-5-3-9(6-10(12)15)17-13(18)8-2-4-11(14(19)20)16-7-8/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLNVREQACVXPGED-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.80
Rot. Bonds4

About 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 63998822) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID63998822
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1Br
InChIInChI=1S/C14H11BrN2O4/c1-21-12-5-3-9(6-10(12)15)17-13(18)8-2-4-11(14(19)20)16-7-8/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLNVREQACVXPGED-UHFFFAOYSA-N
XLogP2.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641623
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 66465082
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 63998822) is 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is COc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1Br.
What is the InChIKey of 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LNVREQACVXPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-21-12-5-3-9(6-10(12)15)17-13(18)8-2-4-11(14(19)20)16-7-8/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 351.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63998822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).