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

C18H18ClFN2O — CID 11631343

IUPAC5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C18H18ClFN2O/c1-4-22-12(3)11(2)15-9-16(19)21-18(17(15)22)23-10-13-5-7-14(20)8-6-13/h5-9H,4,10H2,1-3H3
InChIKeyKRMBAZPGWOPYST-UHFFFAOYSA-N
MW332.81 g/mol
LogP5.04
Rot. Bonds4

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

5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11631343) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11631343
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C18H18ClFN2O/c1-4-22-12(3)11(2)15-9-16(19)21-18(17(15)22)23-10-13-5-7-14(20)8-6-13/h5-9H,4,10H2,1-3H3
InChIKeyKRMBAZPGWOPYST-UHFFFAOYSA-N
XLogP5.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11631343) is 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is CCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is KRMBAZPGWOPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-4-22-12(3)11(2)15-9-16(19)21-18(17(15)22)23-10-13-5-7-14(20)8-6-13/h5-9H,4,10H2,1-3H3.
What are the key properties of 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 332.81 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11631343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).