4-(5-fluoroindol-1-yl)benzoic acid

C15H10FNO2 — CID 56689281

IUPAC4-(5-fluoroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ccc3cc(F)ccc32)cc1
InChIInChI=1S/C15H10FNO2/c16-12-3-6-14-11(9-12)7-8-17(14)13-4-1-10(2-5-13)15(18)19/h1-9H,(H,18,19)
InChIKeyGXNFHYTWKRZAQK-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.47
Rot. Bonds2

About 4-(5-fluoroindol-1-yl)benzoic acid

4-(5-fluoroindol-1-yl)benzoic acid (PubChem CID 56689281) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-(5-fluoroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-fluoroindol-1-yl)benzoic acid
PubChem CID56689281
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name4-(5-fluoroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ccc3cc(F)ccc32)cc1
InChIInChI=1S/C15H10FNO2/c16-12-3-6-14-11(9-12)7-8-17(14)13-4-1-10(2-5-13)15(18)19/h1-9H,(H,18,19)
InChIKeyGXNFHYTWKRZAQK-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

3-(5-fluoroindol-1-yl)benzoic acid
CID 18385061
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065
[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 146199045
4-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)benzoic acid
CID 54058308
3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline
CID 91757469
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
CID 156881349
1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid
CID 59625874
5-chloro-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]benzoic acid
CID 159373042
1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid
CID 59610578
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzoic acid
CID 102670073
[3-(5-fluoroindol-1-yl)phenyl]methanol
CID 18385130

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroindol-1-yl)benzoic acid?
The IUPAC name of 4-(5-fluoroindol-1-yl)benzoic acid (CID 56689281) is 4-(5-fluoroindol-1-yl)benzoic acid.
What is the SMILES notation for 4-(5-fluoroindol-1-yl)benzoic acid?
The canonical SMILES for 4-(5-fluoroindol-1-yl)benzoic acid is O=C(O)c1ccc(-n2ccc3cc(F)ccc32)cc1.
What is the InChIKey of 4-(5-fluoroindol-1-yl)benzoic acid?
The InChIKey is GXNFHYTWKRZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-12-3-6-14-11(9-12)7-8-17(14)13-4-1-10(2-5-13)15(18)19/h1-9H,(H,18,19).
What are the key properties of 4-(5-fluoroindol-1-yl)benzoic acid?
4-(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 4-(5-fluoroindol-1-yl)benzoic acid is sourced from PubChem (CID 56689281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).