5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid

C14H11BrN2O3 — CID 65308224

IUPAC5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(Br)cc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-2-3-10(15)5-12(8)13(18)17-11-4-9(14(19)20)6-16-7-11/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyKTCAAYLSKLGBOK-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid

5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 65308224) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID65308224
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(Br)cc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-2-3-10(15)5-12(8)13(18)17-11-4-9(14(19)20)6-16-7-11/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyKTCAAYLSKLGBOK-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

3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 79802054
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114019626
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 65308224) is 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid is Cc1ccc(Br)cc1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is KTCAAYLSKLGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-2-3-10(15)5-12(8)13(18)17-11-4-9(14(19)20)6-16-7-11/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-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-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 65308224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).