2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid

C14H13BrN2O2 — CID 60993841

IUPAC2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
SMILESCC(Nc1ccc(Br)cc1)(C(=O)O)c1cccnc1
InChIInChI=1S/C14H13BrN2O2/c1-14(13(18)19,10-3-2-8-16-9-10)17-12-6-4-11(15)5-7-12/h2-9,17H,1H3,(H,18,19)
InChIKeyNSDVFGBNUAVHEA-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid

2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid (PubChem CID 60993841) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
PubChem CID60993841
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
SMILESCC(Nc1ccc(Br)cc1)(C(=O)O)c1cccnc1
InChIInChI=1S/C14H13BrN2O2/c1-14(13(18)19,10-3-2-8-16-9-10)17-12-6-4-11(15)5-7-12/h2-9,17H,1H3,(H,18,19)
InChIKeyNSDVFGBNUAVHEA-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
CID 54891362
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid (CID 60993841) is 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid is CC(Nc1ccc(Br)cc1)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is NSDVFGBNUAVHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-14(13(18)19,10-3-2-8-16-9-10)17-12-6-4-11(15)5-7-12/h2-9,17H,1H3,(H,18,19).
What are the key properties of 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid?
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid has a molecular weight of 321.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 60993841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).