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

C18H18ClFN2O2 — CID 11552011

IUPAC5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C18H18ClFN2O2/c1-11-12(2)22(10-23-3)17-15(11)8-16(19)21-18(17)24-9-13-4-6-14(20)7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyMORKCQTUHWCMOJ-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.63
Rot. Bonds5

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

5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11552011) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11552011
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C18H18ClFN2O2/c1-11-12(2)22(10-23-3)17-15(11)8-16(19)21-18(17)24-9-13-4-6-14(20)7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyMORKCQTUHWCMOJ-UHFFFAOYSA-N
XLogP4.63
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11552011) is 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine is COCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is MORKCQTUHWCMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11-12(2)22(10-23-3)17-15(11)8-16(19)21-18(17)24-9-13-4-6-14(20)7-5-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
5-chloro-7-[(4-fluorophenyl)methoxy]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 348.81 g/mol, XLogP of 4.63, 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]-1-(methoxymethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11552011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).