2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine

C14H12ClF3N2O — CID 171850795

IUPAC2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine
SMILESCc1c(OCCc2ccc(C(F)(F)F)nc2)ccnc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-9-11(4-6-19-13(9)15)21-7-5-10-2-3-12(20-8-10)14(16,17)18/h2-4,6,8H,5,7H2,1H3
InChIKeyZYLOOYREJLZFIW-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine

2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine (PubChem CID 171850795) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine
PubChem CID171850795
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine
SMILESCc1c(OCCc2ccc(C(F)(F)F)nc2)ccnc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-9-11(4-6-19-13(9)15)21-7-5-10-2-3-12(20-8-10)14(16,17)18/h2-4,6,8H,5,7H2,1H3
InChIKeyZYLOOYREJLZFIW-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine?
The IUPAC name of 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine (CID 171850795) is 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine.
What is the SMILES notation for 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine?
The canonical SMILES for 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine is Cc1c(OCCc2ccc(C(F)(F)F)nc2)ccnc1Cl.
What is the InChIKey of 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine?
The InChIKey is ZYLOOYREJLZFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-9-11(4-6-19-13(9)15)21-7-5-10-2-3-12(20-8-10)14(16,17)18/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine?
2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine has a molecular weight of 316.71 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine is sourced from PubChem (CID 171850795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).