2-bromo-6-(methylamino)benzoic acid

C8H8BrNO2 — CID 114887837

IUPAC2-bromo-6-(methylamino)benzoic acid
SMILESCNc1cccc(Br)c1C(=O)O
InChIInChI=1S/C8H8BrNO2/c1-10-6-4-2-3-5(9)7(6)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyKSIRIPNTQYZXSV-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.19
Rot. Bonds2

About 2-bromo-6-(methylamino)benzoic acid

2-bromo-6-(methylamino)benzoic acid (PubChem CID 114887837) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-bromo-6-(methylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(methylamino)benzoic acid
PubChem CID114887837
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-bromo-6-(methylamino)benzoic acid
SMILESCNc1cccc(Br)c1C(=O)O
InChIInChI=1S/C8H8BrNO2/c1-10-6-4-2-3-5(9)7(6)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyKSIRIPNTQYZXSV-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(2-methylprop-2-enylamino)benzoic acid
CID 114888497
2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342787
2-(dimethylamino)-6-(methylamino)benzoic acid
CID 18173452
2-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 114888374
2-bromo-6-(2-methylsulfanylethylamino)benzoic acid
CID 114888252
2-bromo-6-(pentylamino)benzoic acid
CID 114887851
2-bromo-6-[(3-methyl-2-propan-2-ylbutyl)amino]benzoic acid
CID 102915374
2-bromo-6-(7-methyloctylamino)benzoic acid
CID 107818190
2-bromo-6-[(2-methoxy-2-methylpropyl)amino]benzoic acid
CID 114888421
2-bromo-6-(2-ethylsulfonylethylamino)benzoic acid
CID 114112444
2-bromo-6-[[2-(dimethylamino)-2-methylpropyl]amino]benzoic acid
CID 114888004
2-bromo-6-[(3,5-dimethylcyclohexyl)amino]benzoic acid
CID 114888288

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(methylamino)benzoic acid?
The IUPAC name of 2-bromo-6-(methylamino)benzoic acid (CID 114887837) is 2-bromo-6-(methylamino)benzoic acid.
What is the SMILES notation for 2-bromo-6-(methylamino)benzoic acid?
The canonical SMILES for 2-bromo-6-(methylamino)benzoic acid is CNc1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-(methylamino)benzoic acid?
The InChIKey is KSIRIPNTQYZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-10-6-4-2-3-5(9)7(6)8(11)12/h2-4,10H,1H3,(H,11,12).
What are the key properties of 2-bromo-6-(methylamino)benzoic acid?
2-bromo-6-(methylamino)benzoic acid has a molecular weight of 230.06 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(methylamino)benzoic acid is sourced from PubChem (CID 114887837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).