2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol

C17H18N2O — CID 19916800

IUPAC2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol
SMILESCc1nc2n(CC(O)c3ccccc3)cccc-2c1C
InChIInChI=1S/C17H18N2O/c1-12-13(2)18-17-15(12)9-6-10-19(17)11-16(20)14-7-4-3-5-8-14/h3-10,16,20H,11H2,1-2H3
InChIKeyHECRBQLPKWRSJT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.34
Rot. Bonds3

About 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol

2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol (PubChem CID 19916800) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol
PubChem CID19916800
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol
SMILESCc1nc2n(CC(O)c3ccccc3)cccc-2c1C
InChIInChI=1S/C17H18N2O/c1-12-13(2)18-17-15(12)9-6-10-19(17)11-16(20)14-7-4-3-5-8-14/h3-10,16,20H,11H2,1-2H3
InChIKeyHECRBQLPKWRSJT-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
2-(2-imino-1-pyridinyl)-1-phenylethanol
CID 2801660
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
CID 55153499
5-(2-chlorophenyl)-1-(2-hydroxy-2-phenylethyl)-4-methylpyrrole-3-carboxylic acid
CID 69123906
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 62265055
(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
CID 96572239
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol?
The IUPAC name of 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol (CID 19916800) is 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol.
What is the SMILES notation for 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol?
The canonical SMILES for 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol is Cc1nc2n(CC(O)c3ccccc3)cccc-2c1C.
What is the InChIKey of 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol?
The InChIKey is HECRBQLPKWRSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-13(2)18-17-15(12)9-6-10-19(17)11-16(20)14-7-4-3-5-8-14/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol?
2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol has a molecular weight of 266.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanol is sourced from PubChem (CID 19916800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).