2-(3-amino-6-bromo-2-chlorophenyl)acetic acid

C8H7BrClNO2 — CID 131299170

IUPAC2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
SMILESNc1ccc(Br)c(CC(=O)O)c1Cl
InChIInChI=1S/C8H7BrClNO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3,11H2,(H,12,13)
InChIKeyRDZLBVICHFIZIC-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid

2-(3-amino-6-bromo-2-chlorophenyl)acetic acid (PubChem CID 131299170) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
PubChem CID131299170
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
SMILESNc1ccc(Br)c(CC(=O)O)c1Cl
InChIInChI=1S/C8H7BrClNO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3,11H2,(H,12,13)
InChIKeyRDZLBVICHFIZIC-UHFFFAOYSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.31
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-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-(6-amino-2-chloro-3-cyanophenyl)acetic acid
CID 171021725
2-(3-amino-5-bromo-4-chlorophenyl)acetic acid
CID 131299171
2-(2,6-diamino-4-bromophenyl)acetic acid
CID 171014717
2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
CID 131621169
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376
2-(2,6-dibromo-3-cyanophenyl)acetic acid
CID 130848799

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid?
The IUPAC name of 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid (CID 131299170) is 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid?
The canonical SMILES for 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid is Nc1ccc(Br)c(CC(=O)O)c1Cl.
What is the InChIKey of 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid?
The InChIKey is RDZLBVICHFIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3,11H2,(H,12,13).
What are the key properties of 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid?
2-(3-amino-6-bromo-2-chlorophenyl)acetic acid has a molecular weight of 264.51 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-bromo-2-chlorophenyl)acetic acid is sourced from PubChem (CID 131299170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).