7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid

C12H11FN2O2 — CID 69421321

IUPAC7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
SMILESO=C(O)n1c2c(c3ccc(F)cc31)CCNC2
InChIInChI=1S/C12H11FN2O2/c13-7-1-2-8-9-3-4-14-6-11(9)15(12(16)17)10(8)5-7/h1-2,5,14H,3-4,6H2,(H,16,17)
InChIKeyNFDUZIUAFYFPRL-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds

About 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid

7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid (PubChem CID 69421321) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
PubChem CID69421321
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
SMILESO=C(O)n1c2c(c3ccc(F)cc31)CCNC2
InChIInChI=1S/C12H11FN2O2/c13-7-1-2-8-9-3-4-14-6-11(9)15(12(16)17)10(8)5-7/h1-2,5,14H,3-4,6H2,(H,16,17)
InChIKeyNFDUZIUAFYFPRL-UHFFFAOYSA-N
XLogP1.95
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The IUPAC name of 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid (CID 69421321) is 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid.
What is the SMILES notation for 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The canonical SMILES for 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid is O=C(O)n1c2c(c3ccc(F)cc31)CCNC2.
What is the InChIKey of 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The InChIKey is NFDUZIUAFYFPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-7-1-2-8-9-3-4-14-6-11(9)15(12(16)17)10(8)5-7/h1-2,5,14H,3-4,6H2,(H,16,17).
What are the key properties of 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid is sourced from PubChem (CID 69421321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).