2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol

C14H17BrN2O — CID 170696368

IUPAC2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol
SMILESCn1c2c(c3ccc(Br)cc31)CN(CCO)CC2
InChIInChI=1S/C14H17BrN2O/c1-16-13-4-5-17(6-7-18)9-12(13)11-3-2-10(15)8-14(11)16/h2-3,8,18H,4-7,9H2,1H3
InChIKeyFZUYRJSDSLAMPZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.29
Rot. Bonds2

About 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol

2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol (PubChem CID 170696368) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol
PubChem CID170696368
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol
SMILESCn1c2c(c3ccc(Br)cc31)CN(CCO)CC2
InChIInChI=1S/C14H17BrN2O/c1-16-13-4-5-17(6-7-18)9-12(13)11-3-2-10(15)8-14(11)16/h2-3,8,18H,4-7,9H2,1H3
InChIKeyFZUYRJSDSLAMPZ-UHFFFAOYSA-N
XLogP2.29
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol?
The IUPAC name of 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol (CID 170696368) is 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol.
What is the SMILES notation for 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol?
The canonical SMILES for 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol is Cn1c2c(c3ccc(Br)cc31)CN(CCO)CC2.
What is the InChIKey of 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol?
The InChIKey is FZUYRJSDSLAMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-16-13-4-5-17(6-7-18)9-12(13)11-3-2-10(15)8-14(11)16/h2-3,8,18H,4-7,9H2,1H3.
What are the key properties of 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol?
2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol has a molecular weight of 309.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol is sourced from PubChem (CID 170696368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).