3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine

C13H15Cl2F3N2 — CID 63392201

IUPAC3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCCCC2CCCl)c(Cl)c1
InChIInChI=1S/C13H15Cl2F3N2/c14-5-4-10-3-1-2-6-20(10)12-11(15)7-9(8-19-12)13(16,17)18/h7-8,10H,1-6H2
InChIKeyLZKCENRUVSPCID-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.74
Rot. Bonds3

About 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 63392201) has the molecular formula C13H15Cl2F3N2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID63392201
Molecular FormulaC13H15Cl2F3N2
Molecular Weight327.18 g/mol
Exact Mass326.06
IUPAC Name3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCCCC2CCCl)c(Cl)c1
InChIInChI=1S/C13H15Cl2F3N2/c14-5-4-10-3-1-2-6-20(10)12-11(15)7-9(8-19-12)13(16,17)18/h7-8,10H,1-6H2
InChIKeyLZKCENRUVSPCID-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62592867
3-chloro-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 102785855
2-(chloromethyl)-1-(3,5-dichloro-2-pyridinyl)azepane
CID 116638899
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 62274622
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032254
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
(3aS,6aS)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599203
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 63392201) is 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(N2CCCCC2CCCl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is LZKCENRUVSPCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F3N2/c14-5-4-10-3-1-2-6-20(10)12-11(15)7-9(8-19-12)13(16,17)18/h7-8,10H,1-6H2.
What are the key properties of 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 327.18 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 63392201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).