[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C15H14N2O — CID 135084451

IUPAC[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1ccc(-n2cc(CO)c3cccnc32)cc1
InChIInChI=1S/C15H14N2O/c1-11-4-6-13(7-5-11)17-9-12(10-18)14-3-2-8-16-15(14)17/h2-9,18H,10H2,1H3
InChIKeyOTGIRPXNULPNMA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.83
Rot. Bonds2

About [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 135084451) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID135084451
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1ccc(-n2cc(CO)c3cccnc32)cc1
InChIInChI=1S/C15H14N2O/c1-11-4-6-13(7-5-11)17-9-12(10-18)14-3-2-8-16-15(14)17/h2-9,18H,10H2,1H3
InChIKeyOTGIRPXNULPNMA-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 135084451) is [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1ccc(-n2cc(CO)c3cccnc32)cc1.
What is the InChIKey of [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is OTGIRPXNULPNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-4-6-13(7-5-11)17-9-12(10-18)14-3-2-8-16-15(14)17/h2-9,18H,10H2,1H3.
What are the key properties of [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 238.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 135084451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).