2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine

C11H11Cl2NO — CID 155190648

IUPAC2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine
SMILESC=CCC1(c2cc(Cl)nc(Cl)c2)COC1
InChIInChI=1S/C11H11Cl2NO/c1-2-3-11(6-15-7-11)8-4-9(12)14-10(13)5-8/h2,4-5H,1,3,6-7H2
InChIKeyRFPPXQJTJNQTLQ-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.23
Rot. Bonds3

About 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine

2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine (PubChem CID 155190648) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine
PubChem CID155190648
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine
SMILESC=CCC1(c2cc(Cl)nc(Cl)c2)COC1
InChIInChI=1S/C11H11Cl2NO/c1-2-3-11(6-15-7-11)8-4-9(12)14-10(13)5-8/h2,4-5H,1,3,6-7H2
InChIKeyRFPPXQJTJNQTLQ-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dichloropyridin-3-yl)ethan-1-ol
CID 18427429
4-Tert-butyl-2,6-dichloropyridine
CID 23131481
2-Chloro-4-(3-fluorooxetan-3-YL)pyridine
CID 71743071
2-Chloro-3-(3-fluorooxetan-3-yl)-6-methylpyridine
CID 90202646
4-((1,4-Dioxan-2-yl)difluoromethyl)-2,6-dichloropyridine
CID 146013891
2-(2,6-Dichloropyridin-4-yl)-2,2-difluoroethan-1-ol
CID 165630093
2-Chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine
CID 167095847
2,6-Dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine
CID 167259603
2,6-dichloro-4-[[(2R)-1,4-dioxan-2-yl]-difluoromethyl]pyridine
CID 168238360
2,6-dichloro-4-[[(2S)-1,4-dioxan-2-yl]-difluoromethyl]pyridine
CID 168238469
2,6-Dichloro-4-[3-(trifluoromethoxy)cyclobutyl]pyridine
CID 176109281
2-Chloro-6-(1,1-difluoroethyl)-4-(oxetan-3-yl)pyridine
CID 176332616

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine?
The IUPAC name of 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine (CID 155190648) is 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine is C=CCC1(c2cc(Cl)nc(Cl)c2)COC1.
What is the InChIKey of 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine?
The InChIKey is RFPPXQJTJNQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-2-3-11(6-15-7-11)8-4-9(12)14-10(13)5-8/h2,4-5H,1,3,6-7H2.
What are the key properties of 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine?
2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine has a molecular weight of 244.12 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3-prop-2-enyloxetan-3-yl)pyridine is sourced from PubChem (CID 155190648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).