4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid

C9H8FNO3 — CID 117110506

IUPAC4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
SMILESO=C(O)c1c(O)cc2c(c1F)CCN2
InChIInChI=1S/C9H8FNO3/c10-8-4-1-2-11-5(4)3-6(12)7(8)9(13)14/h3,11-12H,1-2H2,(H,13,14)
InChIKeyFQDGXXJRFSRDNT-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.20
Rot. Bonds1

About 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid

4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid (PubChem CID 117110506) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
PubChem CID117110506
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
SMILESO=C(O)c1c(O)cc2c(c1F)CCN2
InChIInChI=1S/C9H8FNO3/c10-8-4-1-2-11-5(4)3-6(12)7(8)9(13)14/h3,11-12H,1-2H2,(H,13,14)
InChIKeyFQDGXXJRFSRDNT-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid
CID 84656778
6-fluoro-2,3-dihydro-1H-indol-4-ol
CID 83872654
4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117110528
4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
CID 167722989
5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
6-iodo-2,3-dihydro-1H-indol-4-ol
CID 119083614
3-amino-2,4-difluoro-6-hydroxybenzoic acid
CID 84770911
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
CID 53421763
7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 171080337
4-fluoro-6-methyl-2,3-dihydro-1H-indole
CID 123734909
2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid
CID 134221633

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid?
The IUPAC name of 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid (CID 117110506) is 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid?
The canonical SMILES for 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid is O=C(O)c1c(O)cc2c(c1F)CCN2.
What is the InChIKey of 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid?
The InChIKey is FQDGXXJRFSRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c10-8-4-1-2-11-5(4)3-6(12)7(8)9(13)14/h3,11-12H,1-2H2,(H,13,14).
What are the key properties of 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid?
4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid is sourced from PubChem (CID 117110506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).