5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

C19H17FN2O2 — CID 70863032

IUPAC5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
SMILESCN1CCc2c(c3cc(C(=O)O)ccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN2O2/c1-21-9-8-18-16(11-21)15-10-12(19(23)24)2-7-17(15)22(18)14-5-3-13(20)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,23,24)
InChIKeyYHUYGWHSZNRAMX-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.46
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid (PubChem CID 70863032) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
PubChem CID70863032
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
SMILESCN1CCc2c(c3cc(C(=O)O)ccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN2O2/c1-21-9-8-18-16(11-21)15-10-12(19(23)24)2-7-17(15)22(18)14-5-3-13(20)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,23,24)
InChIKeyYHUYGWHSZNRAMX-UHFFFAOYSA-N
XLogP3.46
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid (CID 70863032) is 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid is CN1CCc2c(c3cc(C(=O)O)ccc3n2-c2ccc(F)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The InChIKey is YHUYGWHSZNRAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-21-9-8-18-16(11-21)15-10-12(19(23)24)2-7-17(15)22(18)14-5-3-13(20)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid is sourced from PubChem (CID 70863032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).