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

C14H11BrN2O3 — CID 103644305

IUPAC5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1c(Br)cccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H11BrN2O3/c1-8-10(15)3-2-4-11(8)17-13(18)9-5-6-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyCWNUWYNKSMEGJI-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

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

5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 103644305) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID103644305
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1c(Br)cccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H11BrN2O3/c1-8-10(15)3-2-4-11(8)17-13(18)9-5-6-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyCWNUWYNKSMEGJI-UHFFFAOYSA-N
XLogP3.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107637319
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
[6-[(3-bromo-2-methylphenyl)carbamoyl]-3-pyridinyl]methyl-methylcarbamic acid
CID 174187051
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408290
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 103644305) is 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1c(Br)cccc1NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CWNUWYNKSMEGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-10(15)3-2-4-11(8)17-13(18)9-5-6-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 335.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103644305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).