2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine

C11H12ClF2NO2 — CID 139482481

IUPAC2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine
SMILESCC1(c2cc(C(F)F)cc(Cl)n2)CCOCO1
InChIInChI=1S/C11H12ClF2NO2/c1-11(2-3-16-6-17-11)8-4-7(10(13)14)5-9(12)15-8/h4-5,10H,2-3,6H2,1H3
InChIKeyQAXXCXRTLYGTNN-UHFFFAOYSA-N
MW263.67 g/mol
LogP3.28
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine

2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine (PubChem CID 139482481) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine
PubChem CID139482481
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine
SMILESCC1(c2cc(C(F)F)cc(Cl)n2)CCOCO1
InChIInChI=1S/C11H12ClF2NO2/c1-11(2-3-16-6-17-11)8-4-7(10(13)14)5-9(12)15-8/h4-5,10H,2-3,6H2,1H3
InChIKeyQAXXCXRTLYGTNN-UHFFFAOYSA-N
XLogP3.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methyl-1,3-dioxan-4-yl)pyridine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine (CID 139482481) is 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine is CC1(c2cc(C(F)F)cc(Cl)n2)CCOCO1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine?
The InChIKey is QAXXCXRTLYGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-11(2-3-16-6-17-11)8-4-7(10(13)14)5-9(12)15-8/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine?
2-chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine has a molecular weight of 263.67 g/mol, XLogP of 3.28, 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-(4-methyl-1,3-dioxan-4-yl)pyridine is sourced from PubChem (CID 139482481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).