5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid

C13H12FNO3 — CID 154408135

IUPAC5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid
SMILESO=C(O)c1cn([C@@H]2CCOC2)c2ccc(F)cc12
InChIInChI=1S/C13H12FNO3/c14-8-1-2-12-10(5-8)11(13(16)17)6-15(12)9-3-4-18-7-9/h1-2,5-6,9H,3-4,7H2,(H,16,17)/t9-/m1/s1
InChIKeyCZRSMMVDBUGEAZ-SECBINFHSA-N
MW249.24 g/mol
LogP2.44
Rot. Bonds2

About 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid

5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid (PubChem CID 154408135) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid
PubChem CID154408135
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid
SMILESO=C(O)c1cn([C@@H]2CCOC2)c2ccc(F)cc12
InChIInChI=1S/C13H12FNO3/c14-8-1-2-12-10(5-8)11(13(16)17)6-15(12)9-3-4-18-7-9/h1-2,5-6,9H,3-4,7H2,(H,16,17)/t9-/m1/s1
InChIKeyCZRSMMVDBUGEAZ-SECBINFHSA-N
XLogP2.44
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
6-bromo-5-fluoro-1-(oxetan-3-yl)indole-3-carboxylic acid
CID 170653145
1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;1,4-diazepane
CID 142119061
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
5-fluoro-1-methylsulfonylindole-3-carboxylic acid
CID 90030984
5-fluoro-1-methylsulfinylindole-3-carboxylic acid
CID 144556986
2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353191
7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483500
2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]triazole-4-carboxylic acid
CID 166063210
6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
CID 70686270
3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790331
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid (CID 154408135) is 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid is O=C(O)c1cn([C@@H]2CCOC2)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid?
The InChIKey is CZRSMMVDBUGEAZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-8-1-2-12-10(5-8)11(13(16)17)6-15(12)9-3-4-18-7-9/h1-2,5-6,9H,3-4,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid?
5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid is sourced from PubChem (CID 154408135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).