2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane

C14H17ClF6N2 — CID 144826520

IUPAC2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane
SMILESCC.FC(F)(F)c1cnc(Cl)cc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H11ClF6N2.C2H6/c13-10-5-9(8(6-20-10)12(17,18)19)21-3-1-7(2-4-21)11(14,15)16;1-2/h5-7H,1-4H2;1-2H3
InChIKeyIGGWDTMOXMTZEK-UHFFFAOYSA-N
MW362.75 g/mol
LogP5.56
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane

2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane (PubChem CID 144826520) has the molecular formula C14H17ClF6N2 and a molecular weight of 362.75 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane
PubChem CID144826520
Molecular FormulaC14H17ClF6N2
Molecular Weight362.75 g/mol
Exact Mass362.10
IUPAC Name2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane
SMILESCC.FC(F)(F)c1cnc(Cl)cc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H11ClF6N2.C2H6/c13-10-5-9(8(6-20-10)12(17,18)19)21-3-1-7(2-4-21)11(14,15)16;1-2/h5-7H,1-4H2;1-2H3
InChIKeyIGGWDTMOXMTZEK-UHFFFAOYSA-N
XLogP5.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.75
LogP ≤ 55.56
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-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
Pyridine, 4-(4-methyl-1-piperidinyl)-
CID 157352
1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 1473522
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
(6-Chloro-3-pyridinyl)methyl-trimethylazanium
CID 9877853
2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine
CID 10639739
7-(6-Chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71451808
(6-Chloro-3-pyridinyl)methyl-triethylazanium chloride
CID 9965114
2-Chloro-5-methylpyridin-4-amine
CID 12643706
2-Chloro-4-(1,1-difluoroethyl)pyridine
CID 45790951
7-(4-Chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71449982
2-Chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 138396388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane?
The IUPAC name of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane (CID 144826520) is 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane is CC.FC(F)(F)c1cnc(Cl)cc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane?
The InChIKey is IGGWDTMOXMTZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF6N2.C2H6/c13-10-5-9(8(6-20-10)12(17,18)19)21-3-1-7(2-4-21)11(14,15)16;1-2/h5-7H,1-4H2;1-2H3.
What are the key properties of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane?
2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane has a molecular weight of 362.75 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;ethane is sourced from PubChem (CID 144826520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).