5-bromo-2-(2-fluoroethylamino)benzoic acid

C9H9BrFNO2 — CID 130504978

IUPAC5-bromo-2-(2-fluoroethylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NCCF
InChIInChI=1S/C9H9BrFNO2/c10-6-1-2-8(12-4-3-11)7(5-6)9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyKBVHEQPJSOJJAC-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.53
Rot. Bonds4

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

5-bromo-2-(2-fluoroethylamino)benzoic acid (PubChem CID 130504978) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoroethylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(2-fluoroethylamino)benzoic acid
PubChem CID130504978
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name5-bromo-2-(2-fluoroethylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NCCF
InChIInChI=1S/C9H9BrFNO2/c10-6-1-2-8(12-4-3-11)7(5-6)9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyKBVHEQPJSOJJAC-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(but-3-ynylamino)benzoic acid
CID 114895820
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777
5-bromo-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 114895973
5-bromo-2-(4-methoxybutylamino)benzoic acid
CID 114895530
5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid
CID 114895980
5-bromo-2-(3-methylsulfanylbutylamino)benzoic acid
CID 114896008
5-bromo-2-(but-2-ynylamino)benzoic acid
CID 114895978
5-bromo-2-(4-phenoxybutylamino)benzoic acid
CID 18803004
5-bromo-2-(4-propan-2-yloxybutylamino)benzoic acid
CID 114136442
5-bromo-2-[2-(3-methylphenyl)ethylamino]benzoic acid
CID 114895477
5-bromo-2-(pyridin-4-ylmethylamino)benzoic acid
CID 58989767

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluoroethylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(2-fluoroethylamino)benzoic acid (CID 130504978) is 5-bromo-2-(2-fluoroethylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(2-fluoroethylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(2-fluoroethylamino)benzoic acid is O=C(O)c1cc(Br)ccc1NCCF.
What is the InChIKey of 5-bromo-2-(2-fluoroethylamino)benzoic acid?
The InChIKey is KBVHEQPJSOJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c10-6-1-2-8(12-4-3-11)7(5-6)9(13)14/h1-2,5,12H,3-4H2,(H,13,14).
What are the key properties of 5-bromo-2-(2-fluoroethylamino)benzoic acid?
5-bromo-2-(2-fluoroethylamino)benzoic acid has a molecular weight of 262.08 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluoroethylamino)benzoic acid is sourced from PubChem (CID 130504978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).