1-(9H-pyrido[2,3-b]indol-6-yl)ethanol

C13H12N2O — CID 57456842

IUPAC1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
SMILESCC(O)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C13H12N2O/c1-8(16)9-4-5-12-11(7-9)10-3-2-6-14-13(10)15-12/h2-8,16H,1H3,(H,14,15)
InChIKeyADXAUUPDCDUSKE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.77
Rot. Bonds1

About 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol

1-(9H-pyrido[2,3-b]indol-6-yl)ethanol (PubChem CID 57456842) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol.

Molecular Properties

Compound Name1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
PubChem CID57456842
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
SMILESCC(O)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C13H12N2O/c1-8(16)9-4-5-12-11(7-9)10-3-2-6-14-13(10)15-12/h2-8,16H,1H3,(H,14,15)
InChIKeyADXAUUPDCDUSKE-UHFFFAOYSA-N
XLogP2.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The IUPAC name of 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol (CID 57456842) is 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol.
What is the SMILES notation for 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The canonical SMILES for 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol is CC(O)c1ccc2[nH]c3ncccc3c2c1.
What is the InChIKey of 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The InChIKey is ADXAUUPDCDUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8(16)9-4-5-12-11(7-9)10-3-2-6-14-13(10)15-12/h2-8,16H,1H3,(H,14,15).
What are the key properties of 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol has a molecular weight of 212.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[2,3-b]indol-6-yl)ethanol is sourced from PubChem (CID 57456842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).