2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine

C12H14ClF3N2 — CID 102715411

IUPAC2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESCC1CCCCN1c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H14ClF3N2/c1-8-4-2-3-5-18(8)11-7-9(12(14,15)16)6-10(13)17-11/h6-8H,2-5H2,1H3
InChIKeyLLYDVSNWXMNZLF-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.13
Rot. Bonds1

About 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine

2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102715411) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID102715411
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESCC1CCCCN1c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H14ClF3N2/c1-8-4-2-3-5-18(8)11-7-9(12(14,15)16)6-10(13)17-11/h6-8H,2-5H2,1H3
InChIKeyLLYDVSNWXMNZLF-UHFFFAOYSA-N
XLogP4.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.13
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-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine (CID 102715411) is 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine is CC1CCCCN1c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is LLYDVSNWXMNZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c1-8-4-2-3-5-18(8)11-7-9(12(14,15)16)6-10(13)17-11/h6-8H,2-5H2,1H3.
What are the key properties of 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 278.70 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).