phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C14H12N2O — CID 58086346

IUPACphenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H12N2O/c17-13(10-5-2-1-3-6-10)12-9-16-14-11(12)7-4-8-15-14/h1-9,13,17H,(H,15,16)
InChIKeyWHNCAQWIWGQQQJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.64
Rot. Bonds2

About phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 58086346) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Namephenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID58086346
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Namephenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H12N2O/c17-13(10-5-2-1-3-6-10)12-9-16-14-11(12)7-4-8-15-14/h1-9,13,17H,(H,15,16)
InChIKeyWHNCAQWIWGQQQJ-UHFFFAOYSA-N
XLogP2.64
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 58086346) is phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OC(c1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is WHNCAQWIWGQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-13(10-5-2-1-3-6-10)12-9-16-14-11(12)7-4-8-15-14/h1-9,13,17H,(H,15,16).
What are the key properties of phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 58086346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).