2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid

C15H11BrFNO2 — CID 107282369

IUPAC2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3ccc(F)cc32)cc1Br
InChIInChI=1S/C15H11BrFNO2/c16-13-8-11(3-4-12(13)15(19)20)18-6-5-9-1-2-10(17)7-14(9)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyKVTAQCUUMDVMRG-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.98
Rot. Bonds2

About 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid

2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (PubChem CID 107282369) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
PubChem CID107282369
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC Name2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3ccc(F)cc32)cc1Br
InChIInChI=1S/C15H11BrFNO2/c16-13-8-11(3-4-12(13)15(19)20)18-6-5-9-1-2-10(17)7-14(9)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyKVTAQCUUMDVMRG-UHFFFAOYSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 103496498
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
2-bromo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzoic acid
CID 107282122
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The IUPAC name of 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (CID 107282369) is 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.
What is the SMILES notation for 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The canonical SMILES for 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is O=C(O)c1ccc(N2CCc3ccc(F)cc32)cc1Br.
What is the InChIKey of 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The InChIKey is KVTAQCUUMDVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c16-13-8-11(3-4-12(13)15(19)20)18-6-5-9-1-2-10(17)7-14(9)18/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid has a molecular weight of 336.16 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is sourced from PubChem (CID 107282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).