4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid

C14H11BrN2O3 — CID 62959114

IUPAC4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrN2O3/c1-8-6-9(14(19)20)2-4-11(8)17-13(18)12-5-3-10(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyPIEQDBKVWGJNNB-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid

4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 62959114) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
PubChem CID62959114
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrN2O3/c1-8-6-9(14(19)20)2-4-11(8)17-13(18)12-5-3-10(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyPIEQDBKVWGJNNB-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

methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid (CID 62959114) is 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is PIEQDBKVWGJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-6-9(14(19)20)2-4-11(8)17-13(18)12-5-3-10(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid?
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic 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 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 62959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).