2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid

C15H13BrN2O3 — CID 107339399

IUPAC2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C15H13BrN2O3/c1-9-2-3-10(16)6-13(9)15(21)18-12-5-4-11(17-8-12)7-14(19)20/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyIVFWTLYBUKSMMQ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.03
Rot. Bonds4

About 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107339399) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107339399
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C15H13BrN2O3/c1-9-2-3-10(16)6-13(9)15(21)18-12-5-4-11(17-8-12)7-14(19)20/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyIVFWTLYBUKSMMQ-UHFFFAOYSA-N
XLogP3.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107339523
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid (CID 107339399) is 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid is Cc1ccc(Br)cc1C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is IVFWTLYBUKSMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-2-3-10(16)6-13(9)15(21)18-12-5-4-11(17-8-12)7-14(19)20/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 349.18 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).