4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C14H12N2O — CID 66827127

IUPAC4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H12N2O/c1-17-11-4-2-10(3-5-11)12-6-8-15-14-13(12)7-9-16-14/h2-9H,1H3,(H,15,16)
InChIKeyNDAAQXJENZUYNL-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds2

About 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 66827127) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID66827127
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H12N2O/c1-17-11-4-2-10(3-5-11)12-6-8-15-14-13(12)7-9-16-14/h2-9H,1H3,(H,15,16)
InChIKeyNDAAQXJENZUYNL-UHFFFAOYSA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 66827127) is 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NDAAQXJENZUYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-11-4-2-10(3-5-11)12-6-8-15-14-13(12)7-9-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 224.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 66827127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).