[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide

C18H14BrFN2O — CID 46907565

IUPAC[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide
SMILESBr.OCc1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C18H13FN2O.BrH/c19-12-5-7-14(8-6-12)21-17-4-2-1-3-15(17)16-9-13(11-22)20-10-18(16)21;/h1-10,22H,11H2;1H
InChIKeyDUBQVOQVRPEFRN-UHFFFAOYSA-N
MW373.23 g/mol
LogP4.39
Rot. Bonds2

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

[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide (PubChem CID 46907565) has the molecular formula C18H14BrFN2O and a molecular weight of 373.23 g/mol. Its IUPAC name is [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide.

Molecular Properties

Compound Name[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide
PubChem CID46907565
Molecular FormulaC18H14BrFN2O
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC Name[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide
SMILESBr.OCc1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C18H13FN2O.BrH/c19-12-5-7-14(8-6-12)21-17-4-2-1-3-15(17)16-9-13(11-22)20-10-18(16)21;/h1-10,22H,11H2;1H
InChIKeyDUBQVOQVRPEFRN-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide?
The IUPAC name of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide (CID 46907565) is [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide.
What is the SMILES notation for [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide?
The canonical SMILES for [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide is Br.OCc1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide?
The InChIKey is DUBQVOQVRPEFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O.BrH/c19-12-5-7-14(8-6-12)21-17-4-2-1-3-15(17)16-9-13(11-22)20-10-18(16)21;/h1-10,22H,11H2;1H.
What are the key properties of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide?
[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide has a molecular weight of 373.23 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol;hydrobromide is sourced from PubChem (CID 46907565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).