5-bromo-2-(ethylamino)benzoic acid

C9H10BrNO2 — CID 12925315

IUPAC5-bromo-2-(ethylamino)benzoic acid
SMILESCCNc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C9H10BrNO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyGECLABGJKKFNJZ-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.58
Rot. Bonds3

About 5-bromo-2-(ethylamino)benzoic acid

5-bromo-2-(ethylamino)benzoic acid (PubChem CID 12925315) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)benzoic acid
PubChem CID12925315
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name5-bromo-2-(ethylamino)benzoic acid
SMILESCCNc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C9H10BrNO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyGECLABGJKKFNJZ-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(but-2-ynylamino)benzoic acid
CID 114895978
2-(ethylamino)-5-iodobenzoic acid
CID 68830634
5-bromo-2-(2-fluoroethylamino)benzoic acid
CID 130504978
5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid
CID 114895980
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid
CID 55031490
5-bromo-3-(ethylamino)-2-methylbenzoic acid
CID 123273936
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
5-bromo-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 114895973
5-bromo-2-(but-3-ynylamino)benzoic acid
CID 114895820
5-bromo-2-(4-methoxybutylamino)benzoic acid
CID 114895530
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(ethylamino)benzoic acid (CID 12925315) is 5-bromo-2-(ethylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(ethylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(ethylamino)benzoic acid is CCNc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(ethylamino)benzoic acid?
The InChIKey is GECLABGJKKFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-2-(ethylamino)benzoic acid?
5-bromo-2-(ethylamino)benzoic acid has a molecular weight of 244.09 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)benzoic acid is sourced from PubChem (CID 12925315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).