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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Related Compounds

6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82274347
4-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridin-3-amine
CID 82376108
4-methoxy-5-(4-methoxyphenyl)-1-methylpyridin-2-one
CID 15144251
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 22048158
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516

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).