3-(5-fluoroindol-1-yl)benzoic acid

C15H10FNO2 — CID 18385061

IUPAC3-(5-fluoroindol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2ccc3cc(F)ccc32)c1
InChIInChI=1S/C15H10FNO2/c16-12-4-5-14-10(8-12)6-7-17(14)13-3-1-2-11(9-13)15(18)19/h1-9H,(H,18,19)
InChIKeySAQLUHFHCSZFAV-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.47
Rot. Bonds2

About 3-(5-fluoroindol-1-yl)benzoic acid

3-(5-fluoroindol-1-yl)benzoic acid (PubChem CID 18385061) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(5-fluoroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-fluoroindol-1-yl)benzoic acid
PubChem CID18385061
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name3-(5-fluoroindol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2ccc3cc(F)ccc32)c1
InChIInChI=1S/C15H10FNO2/c16-12-4-5-14-10(8-12)6-7-17(14)13-3-1-2-11(9-13)15(18)19/h1-9H,(H,18,19)
InChIKeySAQLUHFHCSZFAV-UHFFFAOYSA-N
XLogP3.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281
[3-(5-fluoroindol-1-yl)phenyl]methanol
CID 18385130
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
3-indol-1-ylbenzamide;hydrochloride
CID 70409706
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065
3-(2,4-dioxopyrimidin-1-yl)benzoic acid
CID 83487310
3-(4,5,7-trifluoroindol-1-yl)benzoic acid
CID 58517019
1-[3-(hydroxymethyl)phenyl]indole-6-carboxylic acid
CID 56604541
[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 146199045
3-[2-[(2,4-difluorophenyl)iminomethyl]pyrrol-1-yl]benzoic acid
CID 126114448
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
5-fluoro-1-hydroxyindole
CID 13415513

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoroindol-1-yl)benzoic acid?
The IUPAC name of 3-(5-fluoroindol-1-yl)benzoic acid (CID 18385061) is 3-(5-fluoroindol-1-yl)benzoic acid.
What is the SMILES notation for 3-(5-fluoroindol-1-yl)benzoic acid?
The canonical SMILES for 3-(5-fluoroindol-1-yl)benzoic acid is O=C(O)c1cccc(-n2ccc3cc(F)ccc32)c1.
What is the InChIKey of 3-(5-fluoroindol-1-yl)benzoic acid?
The InChIKey is SAQLUHFHCSZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-12-4-5-14-10(8-12)6-7-17(14)13-3-1-2-11(9-13)15(18)19/h1-9H,(H,18,19).
What are the key properties of 3-(5-fluoroindol-1-yl)benzoic acid?
3-(5-fluoroindol-1-yl)benzoic acid has a molecular weight of 255.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoroindol-1-yl)benzoic acid is sourced from PubChem (CID 18385061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).