2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine

C11H10ClF2NO2 — CID 139464603

IUPAC2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine
SMILESFC(F)c1cc(Cl)nc(C23CCOCC2O3)c1
InChIInChI=1S/C11H10ClF2NO2/c12-9-4-6(10(13)14)3-7(15-9)11-1-2-16-5-8(11)17-11/h3-4,8,10H,1-2,5H2
InChIKeyXTJVUZMWCUEWGH-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine

2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine (PubChem CID 139464603) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine
PubChem CID139464603
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine
SMILESFC(F)c1cc(Cl)nc(C23CCOCC2O3)c1
InChIInChI=1S/C11H10ClF2NO2/c12-9-4-6(10(13)14)3-7(15-9)11-1-2-16-5-8(11)17-11/h3-4,8,10H,1-2,5H2
InChIKeyXTJVUZMWCUEWGH-UHFFFAOYSA-N
XLogP2.69
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine (CID 139464603) is 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine is FC(F)c1cc(Cl)nc(C23CCOCC2O3)c1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine?
The InChIKey is XTJVUZMWCUEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-9-4-6(10(13)14)3-7(15-9)11-1-2-16-5-8(11)17-11/h3-4,8,10H,1-2,5H2.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine?
2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine has a molecular weight of 261.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine is sourced from PubChem (CID 139464603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).