[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol

C18H13FN2O — CID 10756047

IUPAC[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN2O/c19-12-7-5-11(6-8-12)17-18-15(9-13(10-22)20-17)14-3-1-2-4-16(14)21-18/h1-9,21-22H,10H2
InChIKeyVINDFRGJOHTMOX-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.01
Rot. Bonds2

About [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol

[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 10756047) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
PubChem CID10756047
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN2O/c19-12-7-5-11(6-8-12)17-18-15(9-13(10-22)20-17)14-3-1-2-4-16(14)21-18/h1-9,21-22H,10H2
InChIKeyVINDFRGJOHTMOX-UHFFFAOYSA-N
XLogP4.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridindolol
CID 5358591
3-Hydroxymethyl-beta-carboline
CID 5353338
Cordysinin C/D
CID 10899924
(1H-indol-2-yl)methanol
CID 98783
[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 5387929
1H-Indole, 3-(2-hydroxyethyl)-2-phenyl-
CID 609959
9H-Pyrido[3,4-B]indole-1-methanol
CID 5318284
1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659336
3,3,6-trimethyl-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-1-ol
CID 5730028
phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 14833759
1-(4-Fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-ol
CID 24156283
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol (CID 10756047) is [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol is OCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is VINDFRGJOHTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-12-7-5-11(6-8-12)17-18-15(9-13(10-22)20-17)14-3-1-2-4-16(14)21-18/h1-9,21-22H,10H2.
What are the key properties of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 292.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 10756047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).