5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine

C12H15ClFNO2 — CID 67975597

IUPAC5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
SMILESCC1(C)OC(c2cc(Cl)cnc2F)OC1(C)C
InChIInChI=1S/C12H15ClFNO2/c1-11(2)12(3,4)17-10(16-11)8-5-7(13)6-15-9(8)14/h5-6,10H,1-4H3
InChIKeyJDBZHAVFXHSNTO-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.48
Rot. Bonds1

About 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine

5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine (PubChem CID 67975597) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
PubChem CID67975597
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
SMILESCC1(C)OC(c2cc(Cl)cnc2F)OC1(C)C
InChIInChI=1S/C12H15ClFNO2/c1-11(2)12(3,4)17-10(16-11)8-5-7(13)6-15-9(8)14/h5-6,10H,1-4H3
InChIKeyJDBZHAVFXHSNTO-UHFFFAOYSA-N
XLogP3.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.48
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 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
The IUPAC name of 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine (CID 67975597) is 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine.
What is the SMILES notation for 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
The canonical SMILES for 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine is CC1(C)OC(c2cc(Cl)cnc2F)OC1(C)C.
What is the InChIKey of 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
The InChIKey is JDBZHAVFXHSNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-11(2)12(3,4)17-10(16-11)8-5-7(13)6-15-9(8)14/h5-6,10H,1-4H3.
What are the key properties of 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine has a molecular weight of 259.71 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine is sourced from PubChem (CID 67975597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).