1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol

C16H16N2O — CID 56907537

IUPAC1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
SMILESCC(O)c1cccc(-c2ccnc3c2ccn3C)c1
InChIInChI=1S/C16H16N2O/c1-11(19)12-4-3-5-13(10-12)14-6-8-17-16-15(14)7-9-18(16)2/h3-11,19H,1-2H3
InChIKeyBXCODEUVWUPVQS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.29
Rot. Bonds2

About 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol

1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol (PubChem CID 56907537) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
PubChem CID56907537
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
SMILESCC(O)c1cccc(-c2ccnc3c2ccn3C)c1
InChIInChI=1S/C16H16N2O/c1-11(19)12-4-3-5-13(10-12)14-6-8-17-16-15(14)7-9-18(16)2/h3-11,19H,1-2H3
InChIKeyBXCODEUVWUPVQS-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
1-[3-(2-phenylphenyl)phenyl]ethanol
CID 70377718
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 70718302
1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
CID 70720903
8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine
CID 70739111
2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole
CID 70734595
1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol
CID 57336062
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
CID 45231150
2-methyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 70761562
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 70721184
1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
CID 117290921
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol?
The IUPAC name of 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol (CID 56907537) is 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol is CC(O)c1cccc(-c2ccnc3c2ccn3C)c1.
What is the InChIKey of 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol?
The InChIKey is BXCODEUVWUPVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(19)12-4-3-5-13(10-12)14-6-8-17-16-15(14)7-9-18(16)2/h3-11,19H,1-2H3.
What are the key properties of 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol?
1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol has a molecular weight of 252.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol is sourced from PubChem (CID 56907537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).