6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine

C14H10ClF4NO — CID 163265814

IUPAC6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cc(Cl)nc(-c2ccc(F)cc2)c1OCC(F)(F)F
InChIInChI=1S/C14H10ClF4NO/c1-8-6-11(15)20-12(9-2-4-10(16)5-3-9)13(8)21-7-14(17,18)19/h2-6H,7H2,1H3
InChIKeyQAEIWXNQXXPREJ-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.79
Rot. Bonds3

About 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine

6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 163265814) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine
PubChem CID163265814
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cc(Cl)nc(-c2ccc(F)cc2)c1OCC(F)(F)F
InChIInChI=1S/C14H10ClF4NO/c1-8-6-11(15)20-12(9-2-4-10(16)5-3-9)13(8)21-7-14(17,18)19/h2-6H,7H2,1H3
InChIKeyQAEIWXNQXXPREJ-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.79
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

US10155760, Example 147
CID 118429884
2-(6-Chloropyridin-2-yl)-2-(2-(trifluoromethoxy)-phenyl)acetonitrile (11)
CID 56604890
US10155760, Example 158
CID 118420068
US10155760, Example 143
CID 129279925
3-[(4-Chlorophenyl)methoxy]-2-methylquinoline
CID 3375760
US10155760, Example 169
CID 118420060
US10155760, Example 159
CID 118429824
US10155760, Example 168
CID 118429831
US10155760, Example 142
CID 118429968
6-phenyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine
CID 11543031
3bcHEtOFPyr
CID 139886254
2-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile
CID 56604816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine (CID 163265814) is 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine is Cc1cc(Cl)nc(-c2ccc(F)cc2)c1OCC(F)(F)F.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is QAEIWXNQXXPREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c1-8-6-11(15)20-12(9-2-4-10(16)5-3-9)13(8)21-7-14(17,18)19/h2-6H,7H2,1H3.
What are the key properties of 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 319.69 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 163265814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).