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

C18H13BrN2O — CID 51351556

IUPAC(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
SMILESOC(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H13BrN2O/c19-12-7-5-11(6-8-12)18(22)17-16-14(9-10-20-17)13-3-1-2-4-15(13)21-16/h1-10,18,21-22H
InChIKeyUSSLINYZUFRWLG-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.56
Rot. Bonds2

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

(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol (PubChem CID 51351556) has the molecular formula C18H13BrN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
PubChem CID51351556
Molecular FormulaC18H13BrN2O
Molecular Weight353.22 g/mol
Exact Mass352.02
IUPAC Name(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
SMILESOC(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H13BrN2O/c19-12-7-5-11(6-8-12)18(22)17-16-14(9-10-20-17)13-3-1-2-4-15(13)21-16/h1-10,18,21-22H
InChIKeyUSSLINYZUFRWLG-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 (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
The IUPAC name of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol (CID 51351556) is (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol is OC(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
The InChIKey is USSLINYZUFRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O/c19-12-7-5-11(6-8-12)18(22)17-16-14(9-10-20-17)13-3-1-2-4-15(13)21-16/h1-10,18,21-22H.
What are the key properties of (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
(4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol 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 (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol is sourced from PubChem (CID 51351556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).