2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine

C15H13ClFN3O — CID 79272888

IUPAC2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2c(C(C)Cl)nc3cnccc32)cc1F
InChIInChI=1S/C15H13ClFN3O/c1-9(16)15-19-12-8-18-6-5-13(12)20(15)10-3-4-14(21-2)11(17)7-10/h3-9H,1-2H3
InChIKeyWPXAYWYBRQDPBP-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.87
Rot. Bonds3

About 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 79272888) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine
PubChem CID79272888
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2c(C(C)Cl)nc3cnccc32)cc1F
InChIInChI=1S/C15H13ClFN3O/c1-9(16)15-19-12-8-18-6-5-13(12)20(15)10-3-4-14(21-2)11(17)7-10/h3-9H,1-2H3
InChIKeyWPXAYWYBRQDPBP-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine (CID 79272888) is 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine is COc1ccc(-n2c(C(C)Cl)nc3cnccc32)cc1F.
What is the InChIKey of 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is WPXAYWYBRQDPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-9(16)15-19-12-8-18-6-5-13(12)20(15)10-3-4-14(21-2)11(17)7-10/h3-9H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 305.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79272888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).