5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine

C23H19Cl2FN2O — CID 11582747

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccc(Cl)cc2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12
InChIInChI=1S/C23H19Cl2FN2O/c1-14-15(2)28(12-16-3-7-18(24)8-4-16)22-20(14)11-21(25)27-23(22)29-13-17-5-9-19(26)10-6-17/h3-11H,12-13H2,1-2H3
InChIKeyJLVCZARFSXGQAT-UHFFFAOYSA-N
MW429.32 g/mol
LogP6.73
Rot. Bonds5

About 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine

5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11582747) has the molecular formula C23H19Cl2FN2O and a molecular weight of 429.32 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11582747
Molecular FormulaC23H19Cl2FN2O
Molecular Weight429.32 g/mol
Exact Mass428.09
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccc(Cl)cc2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12
InChIInChI=1S/C23H19Cl2FN2O/c1-14-15(2)28(12-16-3-7-18(24)8-4-16)22-20(14)11-21(25)27-23(22)29-13-17-5-9-19(26)10-6-17/h3-11H,12-13H2,1-2H3
InChIKeyJLVCZARFSXGQAT-UHFFFAOYSA-N
XLogP6.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 56.73
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 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11582747) is 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2ccc(Cl)cc2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is JLVCZARFSXGQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O/c1-14-15(2)28(12-16-3-7-18(24)8-4-16)22-20(14)11-21(25)27-23(22)29-13-17-5-9-19(26)10-6-17/h3-11H,12-13H2,1-2H3.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 429.32 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11582747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).