2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid

C10H9BrFNO2 — CID 107539912

IUPAC2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC2CC2)c(F)c1Br
InChIInChI=1S/C10H9BrFNO2/c11-8-6(10(14)15)3-4-7(9(8)12)13-5-1-2-5/h3-5,13H,1-2H2,(H,14,15)
InChIKeyBDZCHLFTXCHPMW-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.86
Rot. Bonds3

About 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid

2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid (PubChem CID 107539912) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid
PubChem CID107539912
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC2CC2)c(F)c1Br
InChIInChI=1S/C10H9BrFNO2/c11-8-6(10(14)15)3-4-7(9(8)12)13-5-1-2-5/h3-5,13H,1-2H2,(H,14,15)
InChIKeyBDZCHLFTXCHPMW-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-fluoro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 107540532
2-bromo-4-[(1,2-dimethylpiperidin-4-yl)amino]-3-fluorobenzoic acid
CID 107540427
3-bromo-N-cyclopropyl-2,4-difluoroaniline
CID 101495757
2-bromo-4-[(4-ethylcyclohexyl)amino]-3-fluorobenzenecarbothioamide
CID 107534819
2-bromo-4-(cyclooctylamino)-3-fluorobenzenecarbothioamide
CID 107534533
2-bromo-4-[(4-ethylcyclohexyl)methylamino]-3-fluorobenzoic acid
CID 107539901
2-bromo-3-fluoro-4-(propylamino)benzoic acid
CID 107539907
2-bromo-3-fluoro-4-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 107539976
2-bromo-3-fluoro-4-(2-methylpropylamino)benzoic acid
CID 107539913
2-bromo-4-(2-bromoprop-2-enylamino)-3-fluorobenzoic acid
CID 107540479
2,3-difluoro-4-(pyrrolidin-3-ylamino)benzoic acid
CID 79840405
2-bromo-3,4-difluorobenzoic acid
CID 22621204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid?
The IUPAC name of 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid (CID 107539912) is 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid?
The canonical SMILES for 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid is O=C(O)c1ccc(NC2CC2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid?
The InChIKey is BDZCHLFTXCHPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-8-6(10(14)15)3-4-7(9(8)12)13-5-1-2-5/h3-5,13H,1-2H2,(H,14,15).
What are the key properties of 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid?
2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid has a molecular weight of 274.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(cyclopropylamino)-3-fluorobenzoic acid is sourced from PubChem (CID 107539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).