4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine

C8H7Cl3N2 — CID 130975037

IUPAC4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine
SMILESClc1cnc(Cl)c(Cl)c1[C@@H]1CCN1
InChIInChI=1S/C8H7Cl3N2/c9-4-3-13-8(11)7(10)6(4)5-1-2-12-5/h3,5,12H,1-2H2/t5-/m0/s1
InChIKeySWYQIKPWYDXMNF-YFKPBYRVSA-N
MW237.52 g/mol
LogP3.08
Rot. Bonds1

About 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine

4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine (PubChem CID 130975037) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine.

Molecular Properties

Compound Name4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine
PubChem CID130975037
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC Name4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine
SMILESClc1cnc(Cl)c(Cl)c1[C@@H]1CCN1
InChIInChI=1S/C8H7Cl3N2/c9-4-3-13-8(11)7(10)6(4)5-1-2-12-5/h3,5,12H,1-2H2/t5-/m0/s1
InChIKeySWYQIKPWYDXMNF-YFKPBYRVSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 131448512
4-[(2R)-azetidin-2-yl]-2,5-dichloropyridine
CID 130673471
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide
CID 131191374
5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
CID 130648559
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride
CID 171196638
1-[(R)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290183
(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
CID 130618246
formonitrile;2,3,4,5-tetrachloropyridine
CID 175403027

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine?
The IUPAC name of 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine (CID 130975037) is 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine.
What is the SMILES notation for 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine?
The canonical SMILES for 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine is Clc1cnc(Cl)c(Cl)c1[C@@H]1CCN1.
What is the InChIKey of 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine?
The InChIKey is SWYQIKPWYDXMNF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H7Cl3N2/c9-4-3-13-8(11)7(10)6(4)5-1-2-12-5/h3,5,12H,1-2H2/t5-/m0/s1.
What are the key properties of 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine?
4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine has a molecular weight of 237.52 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine is sourced from PubChem (CID 130975037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).