3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride

C14H10Cl2F2N2 — CID 67030270

IUPAC3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nc3ccc(F)cn3c2CCl)cc1
InChIInChI=1S/C14H9ClF2N2.ClH/c15-7-12-14(9-1-3-10(16)4-2-9)18-13-6-5-11(17)8-19(12)13;/h1-6,8H,7H2;1H
InChIKeyOTVNYXOPQYNZMZ-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.44
Rot. Bonds2

About 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride

3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 67030270) has the molecular formula C14H10Cl2F2N2 and a molecular weight of 315.15 g/mol. Its IUPAC name is 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
PubChem CID67030270
Molecular FormulaC14H10Cl2F2N2
Molecular Weight315.15 g/mol
Exact Mass314.02
IUPAC Name3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nc3ccc(F)cn3c2CCl)cc1
InChIInChI=1S/C14H9ClF2N2.ClH/c15-7-12-14(9-1-3-10(16)4-2-9)18-13-6-5-11(17)8-19(12)13;/h1-6,8H,7H2;1H
InChIKeyOTVNYXOPQYNZMZ-UHFFFAOYSA-N
XLogP4.44
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride (CID 67030270) is 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride is Cl.Fc1ccc(-c2nc3ccc(F)cn3c2CCl)cc1.
What is the InChIKey of 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is OTVNYXOPQYNZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2.ClH/c15-7-12-14(9-1-3-10(16)4-2-9)18-13-6-5-11(17)8-19(12)13;/h1-6,8H,7H2;1H.
What are the key properties of 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride?
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 315.15 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 67030270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).