2-amino-5-bromo-3-chloro-4-methylbenzoic acid

C8H7BrClNO2 — CID 122552787

IUPAC2-amino-5-bromo-3-chloro-4-methylbenzoic acid
SMILESCc1c(Br)cc(C(=O)O)c(N)c1Cl
InChIInChI=1S/C8H7BrClNO2/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2H,11H2,1H3,(H,12,13)
InChIKeyOMTGNIPSJXGEML-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.69
Rot. Bonds1

About 2-amino-5-bromo-3-chloro-4-methylbenzoic acid

2-amino-5-bromo-3-chloro-4-methylbenzoic acid (PubChem CID 122552787) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 2-amino-5-bromo-3-chloro-4-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-bromo-3-chloro-4-methylbenzoic acid
PubChem CID122552787
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name2-amino-5-bromo-3-chloro-4-methylbenzoic acid
SMILESCc1c(Br)cc(C(=O)O)c(N)c1Cl
InChIInChI=1S/C8H7BrClNO2/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2H,11H2,1H3,(H,12,13)
InChIKeyOMTGNIPSJXGEML-UHFFFAOYSA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.69
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-chloro-3-methoxybenzoic acid
CID 90257890
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
2-amino-3-bromo-5-methylbenzoic acid
CID 2774400
5-bromo-4-chloro-2-fluoro-3-methylbenzoic acid
CID 53430759
2-amino-5-chloro-3-iodo-4-methylbenzoic acid
CID 87269500
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906
3-bromo-2,5-dimethylbenzoic acid
CID 59238245
2-amino-6-bromo-3-chloro-4-methoxycarbonylbenzoic acid
CID 115356891
2,6-diamino-4-bromo-3-methylbenzoic acid
CID 150589706
4-amino-5-bromobenzene-1,3-dicarboxylic acid
CID 43828796
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
2,5-dibromo-4-chlorobenzoic acid
CID 118497106

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-chloro-4-methylbenzoic acid?
The IUPAC name of 2-amino-5-bromo-3-chloro-4-methylbenzoic acid (CID 122552787) is 2-amino-5-bromo-3-chloro-4-methylbenzoic acid.
What is the SMILES notation for 2-amino-5-bromo-3-chloro-4-methylbenzoic acid?
The canonical SMILES for 2-amino-5-bromo-3-chloro-4-methylbenzoic acid is Cc1c(Br)cc(C(=O)O)c(N)c1Cl.
What is the InChIKey of 2-amino-5-bromo-3-chloro-4-methylbenzoic acid?
The InChIKey is OMTGNIPSJXGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2H,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-5-bromo-3-chloro-4-methylbenzoic acid?
2-amino-5-bromo-3-chloro-4-methylbenzoic acid has a molecular weight of 264.51 g/mol, XLogP of 2.69, 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-3-chloro-4-methylbenzoic acid is sourced from PubChem (CID 122552787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).