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

C12H11ClF6N2 — CID 118008445

IUPAC2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H11ClF6N2/c13-10-5-9(8(6-20-10)12(17,18)19)21-3-1-7(2-4-21)11(14,15)16/h5-7H,1-4H2
InChIKeyNMPVIVGPMWHFQK-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.53
Rot. Bonds1

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

2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (PubChem CID 118008445) has the molecular formula C12H11ClF6N2 and a molecular weight of 332.68 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
PubChem CID118008445
Molecular FormulaC12H11ClF6N2
Molecular Weight332.68 g/mol
Exact Mass332.05
IUPAC Name2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H11ClF6N2/c13-10-5-9(8(6-20-10)12(17,18)19)21-3-1-7(2-4-21)11(14,15)16/h5-7H,1-4H2
InChIKeyNMPVIVGPMWHFQK-UHFFFAOYSA-N
XLogP4.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The IUPAC name of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (CID 118008445) is 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is 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?
The InChIKey is NMPVIVGPMWHFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF6N2/c13-10-5-9(8(6-20-10)12(17,18)19)21-3-1-7(2-4-21)11(14,15)16/h5-7H,1-4H2.
What are the key properties of 2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
2-chloro-5-(trifluoromethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine has a molecular weight of 332.68 g/mol, XLogP of 4.53, 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 is sourced from PubChem (CID 118008445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).