3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid

C15H13BrN2O3 — CID 107147183

IUPAC3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cccnc1CC(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H13BrN2O3/c1-9-4-3-7-17-12(9)8-13(19)18-14-10(15(20)21)5-2-6-11(14)16/h2-7H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyHODOEVCXEMIHSQ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.03
Rot. Bonds4

About 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid

3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid (PubChem CID 107147183) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
PubChem CID107147183
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cccnc1CC(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H13BrN2O3/c1-9-4-3-7-17-12(9)8-13(19)18-14-10(15(20)21)5-2-6-11(14)16/h2-7H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyHODOEVCXEMIHSQ-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

3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147337
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-bromo-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid
CID 63112767
3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112944
3-bromo-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79261010
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid (CID 107147183) is 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid is Cc1cccnc1CC(=O)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
The InChIKey is HODOEVCXEMIHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-4-3-7-17-12(9)8-13(19)18-14-10(15(20)21)5-2-6-11(14)16/h2-7H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic 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 3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 107147183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).