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

C14H12N2O — CID 58087040

IUPAC4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C14H12N2O/c1-17-13-5-3-2-4-11(13)10-6-8-15-14-12(10)7-9-16-14/h2-9H,1H3,(H,15,16)
InChIKeyGWOATTOZCMPVDH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds2

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

4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58087040) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58087040
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C14H12N2O/c1-17-13-5-3-2-4-11(13)10-6-8-15-14-12(10)7-9-16-14/h2-9H,1H3,(H,15,16)
InChIKeyGWOATTOZCMPVDH-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-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 58087040) is 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GWOATTOZCMPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-13-5-3-2-4-11(13)10-6-8-15-14-12(10)7-9-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-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-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58087040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).