6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine

C15H13ClN2O — CID 170855643

IUPAC6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cn(C)c3nc(Cl)ccc23)cc1
InChIInChI=1S/C15H13ClN2O/c1-18-9-13(10-3-5-11(19-2)6-4-10)12-7-8-14(16)17-15(12)18/h3-9H,1-2H3
InChIKeyNSADWODFKJQDCU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.90
Rot. Bonds2

About 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine

6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 170855643) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
PubChem CID170855643
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cn(C)c3nc(Cl)ccc23)cc1
InChIInChI=1S/C15H13ClN2O/c1-18-9-13(10-3-5-11(19-2)6-4-10)12-7-8-14(16)17-15(12)18/h3-9H,1-2H3
InChIKeyNSADWODFKJQDCU-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine (CID 170855643) is 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine is COc1ccc(-c2cn(C)c3nc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is NSADWODFKJQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-18-9-13(10-3-5-11(19-2)6-4-10)12-7-8-14(16)17-15(12)18/h3-9H,1-2H3.
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine?
6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 272.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170855643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).