(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol

C18H13BrN2O — CID 70690409

IUPAC(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nccc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C18H13BrN2O/c19-12-6-7-15-14(10-12)13-8-9-20-17(16(13)21-15)18(22)11-4-2-1-3-5-11/h1-10,18,21-22H
InChIKeyFUINDJPWTVFMGF-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.56
Rot. Bonds2

About (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol

(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol (PubChem CID 70690409) has the molecular formula C18H13BrN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol.

Molecular Properties

Compound Name(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol
PubChem CID70690409
Molecular FormulaC18H13BrN2O
Molecular Weight353.22 g/mol
Exact Mass352.02
IUPAC Name(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nccc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C18H13BrN2O/c19-12-6-7-15-14(10-12)13-8-9-20-17(16(13)21-15)18(22)11-4-2-1-3-5-11/h1-10,18,21-22H
InChIKeyFUINDJPWTVFMGF-UHFFFAOYSA-N
XLogP4.56
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol?
The IUPAC name of (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol (CID 70690409) is (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol.
What is the SMILES notation for (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol?
The canonical SMILES for (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol is OC(c1ccccc1)c1nccc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol?
The InChIKey is FUINDJPWTVFMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O/c19-12-6-7-15-14(10-12)13-8-9-20-17(16(13)21-15)18(22)11-4-2-1-3-5-11/h1-10,18,21-22H.
What are the key properties of (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol?
(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol has a molecular weight of 353.22 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-9H-pyrido[3,4-b]indol-1-yl)-phenylmethanol is sourced from PubChem (CID 70690409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).