2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine

C16H15ClF3NO2 — CID 87122430

IUPAC2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine
SMILESCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C16H15ClF3NO2/c1-11(9-22-10-12-5-3-2-4-6-12)23-13-7-8-14(16(18,19)20)21-15(13)17/h2-8,11H,9-10H2,1H3
InChIKeyJAESWFPMUZTQGZ-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.74
Rot. Bonds6

About 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine

2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine (PubChem CID 87122430) has the molecular formula C16H15ClF3NO2 and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine
PubChem CID87122430
Molecular FormulaC16H15ClF3NO2
Molecular Weight345.75 g/mol
Exact Mass345.07
IUPAC Name2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine
SMILESCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C16H15ClF3NO2/c1-11(9-22-10-12-5-3-2-4-6-12)23-13-7-8-14(16(18,19)20)21-15(13)17/h2-8,11H,9-10H2,1H3
InChIKeyJAESWFPMUZTQGZ-UHFFFAOYSA-N
XLogP4.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.74
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-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine (CID 87122430) is 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine is CC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine?
The InChIKey is JAESWFPMUZTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO2/c1-11(9-22-10-12-5-3-2-4-6-12)23-13-7-8-14(16(18,19)20)21-15(13)17/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine?
2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine has a molecular weight of 345.75 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-phenylmethoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 87122430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).