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

C13H12N2O — CID 69258073

IUPAC2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
SMILESOCCc1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C13H12N2O/c16-7-5-9-3-4-12-11(8-9)10-2-1-6-14-13(10)15-12/h1-4,6,8,16H,5,7H2,(H,14,15)
InChIKeyJTMJVUJNGMZTMV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.25
Rot. Bonds2

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

2-(9H-pyrido[2,3-b]indol-6-yl)ethanol (PubChem CID 69258073) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol.

Molecular Properties

Compound Name2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
PubChem CID69258073
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
SMILESOCCc1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C13H12N2O/c16-7-5-9-3-4-12-11(8-9)10-2-1-6-14-13(10)15-12/h1-4,6,8,16H,5,7H2,(H,14,15)
InChIKeyJTMJVUJNGMZTMV-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-Pyrido(2,3-b)indole
CID 67486
2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
(2S)-2-phenyl-2-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 117779877
Des(dimethylamino)hydroxyrizatriptan
CID 11791351
2-({4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl}amino)-2-methylpropan-1-ol
CID 11381333
(3R)-3-phenyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 162667501
2-(9H-pyrido[3,4-b]indol-1-ylamino)ethanol
CID 44395889
trans-4-[4-(1H-indol-3-yl)-pyrimidin-2-ylamino]-cyclohexanol
CID 24960632
5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
CID 46213938
(4-{8,12,14-Triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenyl)methanol
CID 46224837
5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
CID 46233842
12-[3-(Hydroxymethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266473

Frequently Asked Questions

What is the IUPAC name of 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The IUPAC name of 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol (CID 69258073) is 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol.
What is the SMILES notation for 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The canonical SMILES for 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol is OCCc1ccc2[nH]c3ncccc3c2c1.
What is the InChIKey of 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The InChIKey is JTMJVUJNGMZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-7-5-9-3-4-12-11(8-9)10-2-1-6-14-13(10)15-12/h1-4,6,8,16H,5,7H2,(H,14,15).
What are the key properties of 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
2-(9H-pyrido[2,3-b]indol-6-yl)ethanol has a molecular weight of 212.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-pyrido[2,3-b]indol-6-yl)ethanol is sourced from PubChem (CID 69258073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).