2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine

C9H4Cl2F3NO — CID 18689506

IUPAC2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine
SMILESC#CCOc1nc(Cl)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl2F3NO/c1-2-3-16-8-6(10)4-5(7(11)15-8)9(12,13)14/h1,4H,3H2
InChIKeyQIVFERPSQWOZJA-UHFFFAOYSA-N
MW270.04 g/mol
LogP3.42
Rot. Bonds2

About 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine

2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine (PubChem CID 18689506) has the molecular formula C9H4Cl2F3NO and a molecular weight of 270.04 g/mol. Its IUPAC name is 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine
PubChem CID18689506
Molecular FormulaC9H4Cl2F3NO
Molecular Weight270.04 g/mol
Exact Mass268.96
IUPAC Name2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine
SMILESC#CCOc1nc(Cl)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl2F3NO/c1-2-3-16-8-6(10)4-5(7(11)15-8)9(12,13)14/h1,4H,3H2
InChIKeyQIVFERPSQWOZJA-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.04
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine (CID 18689506) is 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine is C#CCOc1nc(Cl)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine?
The InChIKey is QIVFERPSQWOZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3NO/c1-2-3-16-8-6(10)4-5(7(11)15-8)9(12,13)14/h1,4H,3H2.
What are the key properties of 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine?
2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine has a molecular weight of 270.04 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-prop-2-ynoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 18689506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).