2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine

C9H8Cl3NO2 — CID 168877264

IUPAC2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine
SMILESClc1cc(Cl)c(C2OCCCO2)c(Cl)n1
InChIInChI=1S/C9H8Cl3NO2/c10-5-4-6(11)13-8(12)7(5)9-14-2-1-3-15-9/h4,9H,1-3H2
InChIKeyUNWSFYJZXCWYEL-UHFFFAOYSA-N
MW268.53 g/mol
LogP3.48
Rot. Bonds1

About 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine

2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine (PubChem CID 168877264) has the molecular formula C9H8Cl3NO2 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine
PubChem CID168877264
Molecular FormulaC9H8Cl3NO2
Molecular Weight268.53 g/mol
Exact Mass266.96
IUPAC Name2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine
SMILESClc1cc(Cl)c(C2OCCCO2)c(Cl)n1
InChIInChI=1S/C9H8Cl3NO2/c10-5-4-6(11)13-8(12)7(5)9-14-2-1-3-15-9/h4,9H,1-3H2
InChIKeyUNWSFYJZXCWYEL-UHFFFAOYSA-N
XLogP3.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.53
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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Related Compounds

2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine
CID 58075387
2-(2-chloro-6-fluorophenyl)-1,3-dioxane
CID 82113848
2-chloro-6-(1,3-dioxan-2-yl)quinoline
CID 11172728
5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 134455317
2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine
CID 138524012
4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
CID 58075790
1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 12533018
magnesium;2-phenyl-1,3-dioxane;chloride
CID 169224785
4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
CID 102538380
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
ethyl (4R,5R)-5-(2,4,6-trichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 125458772
ethyl 5-(2,4,6-trichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 165438149

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine?
The IUPAC name of 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine (CID 168877264) is 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine.
What is the SMILES notation for 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine?
The canonical SMILES for 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine is Clc1cc(Cl)c(C2OCCCO2)c(Cl)n1.
What is the InChIKey of 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine?
The InChIKey is UNWSFYJZXCWYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO2/c10-5-4-6(11)13-8(12)7(5)9-14-2-1-3-15-9/h4,9H,1-3H2.
What are the key properties of 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine?
2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine has a molecular weight of 268.53 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 2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine is sourced from PubChem (CID 168877264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).