2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol

C15H14N2O — CID 141014920

IUPAC2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol
SMILESCn1c(Cc2ccccc2)cc2cc(O)cnc21
InChIInChI=1S/C15H14N2O/c1-17-13(7-11-5-3-2-4-6-11)8-12-9-14(18)10-16-15(12)17/h2-6,8-10,18H,7H2,1H3
InChIKeyOGNOBSAOUONUQS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.87
Rot. Bonds2

About 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol

2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol (PubChem CID 141014920) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol.

Molecular Properties

Compound Name2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol
PubChem CID141014920
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol
SMILESCn1c(Cc2ccccc2)cc2cc(O)cnc21
InChIInChI=1S/C15H14N2O/c1-17-13(7-11-5-3-2-4-6-11)8-12-9-14(18)10-16-15(12)17/h2-6,8-10,18H,7H2,1H3
InChIKeyOGNOBSAOUONUQS-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol?
The IUPAC name of 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol (CID 141014920) is 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol.
What is the SMILES notation for 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol?
The canonical SMILES for 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol is Cn1c(Cc2ccccc2)cc2cc(O)cnc21.
What is the InChIKey of 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol?
The InChIKey is OGNOBSAOUONUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-13(7-11-5-3-2-4-6-11)8-12-9-14(18)10-16-15(12)17/h2-6,8-10,18H,7H2,1H3.
What are the key properties of 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol?
2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol has a molecular weight of 238.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol is sourced from PubChem (CID 141014920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).