5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine

C19H18ClFN2O2 — CID 11516031

IUPAC5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CO2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12
InChIInChI=1S/C19H18ClFN2O2/c1-11-12(2)23(8-15-10-24-15)18-16(11)7-17(20)22-19(18)25-9-13-3-5-14(21)6-4-13/h3-7,15H,8-10H2,1-2H3
InChIKeyICDUFTDIDRWBRW-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.42
Rot. Bonds5

About 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine

5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine (PubChem CID 11516031) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
PubChem CID11516031
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2CO2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12
InChIInChI=1S/C19H18ClFN2O2/c1-11-12(2)23(8-15-10-24-15)18-16(11)7-17(20)22-19(18)25-9-13-3-5-14(21)6-4-13/h3-7,15H,8-10H2,1-2H3
InChIKeyICDUFTDIDRWBRW-UHFFFAOYSA-N
XLogP4.42
TPSA39.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine (CID 11516031) is 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine is Cc1c(C)n(CC2CO2)c2c(OCc3ccc(F)cc3)nc(Cl)cc12.
What is the InChIKey of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is ICDUFTDIDRWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-11-12(2)23(8-15-10-24-15)18-16(11)7-17(20)22-19(18)25-9-13-3-5-14(21)6-4-13/h3-7,15H,8-10H2,1-2H3.
What are the key properties of 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine?
5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 360.82 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11516031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).