7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine

C14H12N2O — CID 22476260

IUPAC7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc(COc2ccnc3cc[nH]c23)cc1
InChIInChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-7-9-15-12-6-8-16-14(12)13/h1-9,16H,10H2
InChIKeyKOQDYMPPHRAVND-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.14
Rot. Bonds3

About 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine

7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine (PubChem CID 22476260) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
PubChem CID22476260
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc(COc2ccnc3cc[nH]c23)cc1
InChIInChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-7-9-15-12-6-8-16-14(12)13/h1-9,16H,10H2
InChIKeyKOQDYMPPHRAVND-UHFFFAOYSA-N
XLogP3.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine (CID 22476260) is 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine is c1ccc(COc2ccnc3cc[nH]c23)cc1.
What is the InChIKey of 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is KOQDYMPPHRAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-7-9-15-12-6-8-16-14(12)13/h1-9,16H,10H2.
What are the key properties of 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 224.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 22476260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).