2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine

C11H10ClF2NO — CID 139464458

IUPAC2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine
SMILESFC(F)c1cc(Cl)nc(C2=CCOCC2)c1
InChIInChI=1S/C11H10ClF2NO/c12-10-6-8(11(13)14)5-9(15-10)7-1-3-16-4-2-7/h1,5-6,11H,2-4H2
InChIKeyKIJARBJXKIPQCM-UHFFFAOYSA-N
MW245.66 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine

2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine (PubChem CID 139464458) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine
PubChem CID139464458
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine
SMILESFC(F)c1cc(Cl)nc(C2=CCOCC2)c1
InChIInChI=1S/C11H10ClF2NO/c12-10-6-8(11(13)14)5-9(15-10)7-1-3-16-4-2-7/h1,5-6,11H,2-4H2
InChIKeyKIJARBJXKIPQCM-UHFFFAOYSA-N
XLogP3.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine (CID 139464458) is 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine is FC(F)c1cc(Cl)nc(C2=CCOCC2)c1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine?
The InChIKey is KIJARBJXKIPQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-10-6-8(11(13)14)5-9(15-10)7-1-3-16-4-2-7/h1,5-6,11H,2-4H2.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine?
2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine has a molecular weight of 245.66 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-(3,6-dihydro-2H-pyran-4-yl)pyridine is sourced from PubChem (CID 139464458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).