4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid

C13H8FNO3 — CID 82385331

IUPAC4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid
SMILESO=C(O)c1cocc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C13H8FNO3/c14-8-1-2-11-7(3-8)4-12(15-11)9-5-18-6-10(9)13(16)17/h1-6,15H,(H,16,17)
InChIKeyIOWNPOMMRJEHER-UHFFFAOYSA-N
MW245.21 g/mol
LogP3.27
Rot. Bonds2

About 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid

4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid (PubChem CID 82385331) has the molecular formula C13H8FNO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid
PubChem CID82385331
Molecular FormulaC13H8FNO3
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid
SMILESO=C(O)c1cocc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C13H8FNO3/c14-8-1-2-11-7(3-8)4-12(15-11)9-5-18-6-10(9)13(16)17/h1-6,15H,(H,16,17)
InChIKeyIOWNPOMMRJEHER-UHFFFAOYSA-N
XLogP3.27
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-5-fluoro-1H-indole
CID 131887083
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646
2-(2-bromophenyl)-5-fluoro-1H-indole
CID 131887074
6-fluoro-3-(6-fluoro-2-oxo-1H-quinoline-3-carbonyl)-1H-quinolin-2-one
CID 67008016
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
2-(2-hydroxyphenyl)-1H-indole-5-carboxylic acid
CID 54131699
1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 70701912
2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
CID 145057906
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
CID 82388435

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid?
The IUPAC name of 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid (CID 82385331) is 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid is O=C(O)c1cocc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid?
The InChIKey is IOWNPOMMRJEHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3/c14-8-1-2-11-7(3-8)4-12(15-11)9-5-18-6-10(9)13(16)17/h1-6,15H,(H,16,17).
What are the key properties of 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid?
4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid has a molecular weight of 245.21 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid is sourced from PubChem (CID 82385331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).