2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine

C12H13ClF3NO3 — CID 170351306

IUPAC2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOC1(c2cc(OCC(F)(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C12H13ClF3NO3/c1-18-11(2-3-19-6-11)9-4-8(5-10(13)17-9)20-7-12(14,15)16/h4-5H,2-3,6-7H2,1H3
InChIKeyRRYIIDSFKLFJDF-UHFFFAOYSA-N
MW311.69 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine

2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 170351306) has the molecular formula C12H13ClF3NO3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID170351306
Molecular FormulaC12H13ClF3NO3
Molecular Weight311.69 g/mol
Exact Mass311.05
IUPAC Name2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOC1(c2cc(OCC(F)(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C12H13ClF3NO3/c1-18-11(2-3-19-6-11)9-4-8(5-10(13)17-9)20-7-12(14,15)16/h4-5H,2-3,6-7H2,1H3
InChIKeyRRYIIDSFKLFJDF-UHFFFAOYSA-N
XLogP2.94
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-2-(4-chloro-phenyl)-3-(2,2,2-trifluoro-ethoxy)-pyridine
CID 87103607
4-(2-Azidoethyl)-2-chloro-3-ethoxy-6-[2-(trifluoromethyl)oxiran-2-yl]pyridine
CID 117924752
2-Chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine
CID 121387198
4-Chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 121387809
2-chloro-4-(difluoromethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]pyridine
CID 139464525
2-Chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine
CID 139464529
[2-Chloro-6-(3-methoxyoxolan-3-yl)pyridin-4-yl] trifluoromethanesulfonate
CID 139464743
8-chloro-4-methyl-6-[2-(trifluoromethyl)oxiran-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;ethane;methane
CID 145145947
2-Chloro-4-[3-(difluoromethoxy)propoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728847
6-Chloro-2-(4-fluorophenyl)-4-methyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 163265814
2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876831
2-Chloro-4-[2-(3-fluorooxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine (CID 170351306) is 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine is COC1(c2cc(OCC(F)(F)F)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is RRYIIDSFKLFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO3/c1-18-11(2-3-19-6-11)9-4-8(5-10(13)17-9)20-7-12(14,15)16/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine?
2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 311.69 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 170351306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).