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

C18H11BrN2O2 — CID 24800711

IUPAC(3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H11BrN2O2/c19-13-9-10(5-6-15(13)22)18(23)17-16-12(7-8-20-17)11-3-1-2-4-14(11)21-16/h1-9,21-22H
InChIKeyRVFSIJWZHTVFJY-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.42
Rot. Bonds2

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

(3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (PubChem CID 24800711) has the molecular formula C18H11BrN2O2 and a molecular weight of 367.20 g/mol. Its IUPAC name is (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
PubChem CID24800711
Molecular FormulaC18H11BrN2O2
Molecular Weight367.20 g/mol
Exact Mass366.00
IUPAC Name(3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H11BrN2O2/c19-13-9-10(5-6-15(13)22)18(23)17-16-12(7-8-20-17)11-3-1-2-4-14(11)21-16/h1-9,21-22H
InChIKeyRVFSIJWZHTVFJY-UHFFFAOYSA-N
XLogP4.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The IUPAC name of (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (CID 24800711) is (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The canonical SMILES for (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is O=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The InChIKey is RVFSIJWZHTVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O2/c19-13-9-10(5-6-15(13)22)18(23)17-16-12(7-8-20-17)11-3-1-2-4-14(11)21-16/h1-9,21-22H.
What are the key properties of (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
(3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone has a molecular weight of 367.20 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is sourced from PubChem (CID 24800711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).