8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride

C16H11ClF2N2O2 — CID 86717886

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cl
InChIInChI=1S/C16H11ClF2N2O2/c1-9-14(15(17)22)21-7-3-6-13(16(21)20-9)23-8-10-11(18)4-2-5-12(10)19/h2-7H,8H2,1H3
InChIKeyGMSOYKAXMZJAIM-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.88
Rot. Bonds4

About 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride

8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride (PubChem CID 86717886) has the molecular formula C16H11ClF2N2O2 and a molecular weight of 336.73 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
PubChem CID86717886
Molecular FormulaC16H11ClF2N2O2
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cl
InChIInChI=1S/C16H11ClF2N2O2/c1-9-14(15(17)22)21-7-3-6-13(16(21)20-9)23-8-10-11(18)4-2-5-12(10)19/h2-7H,8H2,1H3
InChIKeyGMSOYKAXMZJAIM-UHFFFAOYSA-N
XLogP3.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride (CID 86717886) is 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cl.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride?
The InChIKey is GMSOYKAXMZJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O2/c1-9-14(15(17)22)21-7-3-6-13(16(21)20-9)23-8-10-11(18)4-2-5-12(10)19/h2-7H,8H2,1H3.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride?
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride has a molecular weight of 336.73 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride is sourced from PubChem (CID 86717886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).