2-chloro-4-(3,3,3-trifluoropropoxy)pyridine

C8H7ClF3NO — CID 82954873

IUPAC2-chloro-4-(3,3,3-trifluoropropoxy)pyridine
SMILESFC(F)(F)CCOc1ccnc(Cl)c1
InChIInChI=1S/C8H7ClF3NO/c9-7-5-6(1-3-13-7)14-4-2-8(10,11)12/h1,3,5H,2,4H2
InChIKeyMCGKSMNGDBAVJR-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine

2-chloro-4-(3,3,3-trifluoropropoxy)pyridine (PubChem CID 82954873) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3,3,3-trifluoropropoxy)pyridine
PubChem CID82954873
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-4-(3,3,3-trifluoropropoxy)pyridine
SMILESFC(F)(F)CCOc1ccnc(Cl)c1
InChIInChI=1S/C8H7ClF3NO/c9-7-5-6(1-3-13-7)14-4-2-8(10,11)12/h1,3,5H,2,4H2
InChIKeyMCGKSMNGDBAVJR-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine?
The IUPAC name of 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine (CID 82954873) is 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine.
What is the SMILES notation for 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine?
The canonical SMILES for 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine is FC(F)(F)CCOc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine?
The InChIKey is MCGKSMNGDBAVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-7-5-6(1-3-13-7)14-4-2-8(10,11)12/h1,3,5H,2,4H2.
What are the key properties of 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine?
2-chloro-4-(3,3,3-trifluoropropoxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3,3-trifluoropropoxy)pyridine is sourced from PubChem (CID 82954873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).