5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine

C18H22ClF3N2 — CID 175103232

IUPAC5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine
SMILESCCc1cc(CC(C)C(F)(F)F)ncc1C1=CN(CC)CC=C1Cl
InChIInChI=1S/C18H22ClF3N2/c1-4-13-9-14(8-12(3)18(20,21)22)23-10-15(13)16-11-24(5-2)7-6-17(16)19/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyOHJOKHLXOLAHBZ-UHFFFAOYSA-N
MW358.84 g/mol
LogP5.18
Rot. Bonds5

About 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine

5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine (PubChem CID 175103232) has the molecular formula C18H22ClF3N2 and a molecular weight of 358.84 g/mol. Its IUPAC name is 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine.

Molecular Properties

Compound Name5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine
PubChem CID175103232
Molecular FormulaC18H22ClF3N2
Molecular Weight358.84 g/mol
Exact Mass358.14
IUPAC Name5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine
SMILESCCc1cc(CC(C)C(F)(F)F)ncc1C1=CN(CC)CC=C1Cl
InChIInChI=1S/C18H22ClF3N2/c1-4-13-9-14(8-12(3)18(20,21)22)23-10-15(13)16-11-24(5-2)7-6-17(16)19/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyOHJOKHLXOLAHBZ-UHFFFAOYSA-N
XLogP5.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.84
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine?
The IUPAC name of 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine (CID 175103232) is 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine.
What is the SMILES notation for 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine?
The canonical SMILES for 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine is CCc1cc(CC(C)C(F)(F)F)ncc1C1=CN(CC)CC=C1Cl.
What is the InChIKey of 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine?
The InChIKey is OHJOKHLXOLAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N2/c1-4-13-9-14(8-12(3)18(20,21)22)23-10-15(13)16-11-24(5-2)7-6-17(16)19/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine?
5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine has a molecular weight of 358.84 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine is sourced from PubChem (CID 175103232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).