6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine

C9H8ClF3N2 — CID 90719675

IUPAC6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC2)nc1Cl
InChIInChI=1S/C9H8ClF3N2/c10-8-6(9(11,12)13)2-3-7(14-8)15-4-1-5-15/h2-3H,1,4-5H2
InChIKeyUFOJOVABHFECHF-UHFFFAOYSA-N
MW236.62 g/mol
LogP2.96
Rot. Bonds1

About 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine

6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine (PubChem CID 90719675) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine
PubChem CID90719675
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC2)nc1Cl
InChIInChI=1S/C9H8ClF3N2/c10-8-6(9(11,12)13)2-3-7(14-8)15-4-1-5-15/h2-3H,1,4-5H2
InChIKeyUFOJOVABHFECHF-UHFFFAOYSA-N
XLogP2.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine
CID 58181344
2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
CID 142790294
5-[4-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-ethylpyrimidine;formic acid
CID 171697749
4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 135231331
6-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-amine
CID 177168205
3-piperidin-1-yl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 166601439
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910130
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910131
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11725490
6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine
CID 166713019
2-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethylidene]cyclohexane-1,3-dione
CID 58924999
6-(azetidin-1-yl)-3-iodo-2-methylpyridine
CID 176729989

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine (CID 90719675) is 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCC2)nc1Cl.
What is the InChIKey of 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine?
The InChIKey is UFOJOVABHFECHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-8-6(9(11,12)13)2-3-7(14-8)15-4-1-5-15/h2-3H,1,4-5H2.
What are the key properties of 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine?
6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine has a molecular weight of 236.62 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-2-chloro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 90719675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).