(1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol

C15H14N2O — CID 90133258

IUPAC(1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol
SMILESOCc1ccc2ccn(Cc3ccccc3)c2n1
InChIInChI=1S/C15H14N2O/c18-11-14-7-6-13-8-9-17(15(13)16-14)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyDUAHDSXYZQKSOJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol

(1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol (PubChem CID 90133258) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol.

Molecular Properties

Compound Name(1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol
PubChem CID90133258
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol
SMILESOCc1ccc2ccn(Cc3ccccc3)c2n1
InChIInChI=1S/C15H14N2O/c18-11-14-7-6-13-8-9-17(15(13)16-14)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyDUAHDSXYZQKSOJ-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpyrrolo[2,3-b]pyridine-6-carbonitrile
CID 90133488
bis((1-benzylpyrrolo[2,3-b]pyridin-6-yl)-[2,6-di(propan-2-yl)phenyl]azanide);carbanide;zirconium(2+)
CID 170526512
7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidine
CID 129216122
1-benzylindol-6-amine
CID 69325204
(1-benzylpyrrolo[2,3-b]pyridin-6-yl)-[2,6-di(propan-2-yl)phenyl]azanide;hafnium;methanidylbenzene
CID 170526510
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 162366446
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
CID 87265832
[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol
CID 7621670
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
1-benzyl-6-chloropyrrolo[3,2-c]pyridine
CID 166174008
1-benzyl-2-bromo-3-methylpyrrole
CID 139840264

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol?
The IUPAC name of (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol (CID 90133258) is (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol.
What is the SMILES notation for (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol?
The canonical SMILES for (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol is OCc1ccc2ccn(Cc3ccccc3)c2n1.
What is the InChIKey of (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol?
The InChIKey is DUAHDSXYZQKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-11-14-7-6-13-8-9-17(15(13)16-14)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2.
What are the key properties of (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol?
(1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolo[2,3-b]pyridin-6-yl)methanol is sourced from PubChem (CID 90133258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).