2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride

C7H6BrClFNO2 — CID 146196960

IUPAC2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
SMILESCl.Nc1cc(F)c(Br)cc1C(=O)O
InChIInChI=1S/C7H5BrFNO2.ClH/c8-4-1-3(7(11)12)6(10)2-5(4)9;/h1-2H,10H2,(H,11,12);1H
InChIKeyDUXSFVKCSLMPEI-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.29
Rot. Bonds1

About 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride

2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride (PubChem CID 146196960) has the molecular formula C7H6BrClFNO2 and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
PubChem CID146196960
Molecular FormulaC7H6BrClFNO2
Molecular Weight270.49 g/mol
Exact Mass268.93
IUPAC Name2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
SMILESCl.Nc1cc(F)c(Br)cc1C(=O)O
InChIInChI=1S/C7H5BrFNO2.ClH/c8-4-1-3(7(11)12)6(10)2-5(4)9;/h1-2H,10H2,(H,11,12);1H
InChIKeyDUXSFVKCSLMPEI-UHFFFAOYSA-N
XLogP2.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
2-amino-4-fluoro-5-sulfanylbenzoic acid
CID 70115569
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667
4-bromo-2,5-difluoroaniline
CID 2773285
2-amino-5-bromo-4-(hydroxymethyl)benzoic acid
CID 142181531
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-amino-5-(4-bromo-2,5-dichlorophenoxy)-4-fluorobenzoic acid
CID 107659952
5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
CID 167733328
5-amino-4-(5-bromo-4-fluoro-2-methylanilino)-2-fluorobenzoic acid
CID 107591034
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
4-bromo-2,5-difluorobenzamide
CID 53418047

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride?
The IUPAC name of 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride (CID 146196960) is 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride.
What is the SMILES notation for 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride?
The canonical SMILES for 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride is Cl.Nc1cc(F)c(Br)cc1C(=O)O.
What is the InChIKey of 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride?
The InChIKey is DUXSFVKCSLMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO2.ClH/c8-4-1-3(7(11)12)6(10)2-5(4)9;/h1-2H,10H2,(H,11,12);1H.
What are the key properties of 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride?
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride has a molecular weight of 270.49 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride is sourced from PubChem (CID 146196960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).