2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid

C13H12FNO2 — CID 105492336

IUPAC2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid
SMILESO=C(O)C1CCc2cc3cc(F)ccc3n2C1
InChIInChI=1S/C13H12FNO2/c14-10-2-4-12-9(5-10)6-11-3-1-8(13(16)17)7-15(11)12/h2,4-6,8H,1,3,7H2,(H,16,17)
InChIKeyFGAJTFRVSKZWNL-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.43
Rot. Bonds1

About 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid

2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid (PubChem CID 105492336) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid
PubChem CID105492336
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid
SMILESO=C(O)C1CCc2cc3cc(F)ccc3n2C1
InChIInChI=1S/C13H12FNO2/c14-10-2-4-12-9(5-10)6-11-3-1-8(13(16)17)7-15(11)12/h2,4-6,8H,1,3,7H2,(H,16,17)
InChIKeyFGAJTFRVSKZWNL-UHFFFAOYSA-N
XLogP2.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83658407
3-(4-fluoro-2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136790088
2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115023942
(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048
2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
CID 105456218
1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048394
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105473568
3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869831
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid?
The IUPAC name of 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid (CID 105492336) is 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid.
What is the SMILES notation for 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid?
The canonical SMILES for 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid is O=C(O)C1CCc2cc3cc(F)ccc3n2C1.
What is the InChIKey of 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid?
The InChIKey is FGAJTFRVSKZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-10-2-4-12-9(5-10)6-11-3-1-8(13(16)17)7-15(11)12/h2,4-6,8H,1,3,7H2,(H,16,17).
What are the key properties of 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid?
2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid is sourced from PubChem (CID 105492336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).