2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine

C13H9ClF3NO — CID 102361414

IUPAC2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OCc2ccccc2)c(Cl)n1
InChIInChI=1S/C13H9ClF3NO/c14-12-10(6-7-11(18-12)13(15,16)17)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRKKNZGCONYVFKC-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.33
Rot. Bonds3

About 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine

2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine (PubChem CID 102361414) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
PubChem CID102361414
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OCc2ccccc2)c(Cl)n1
InChIInChI=1S/C13H9ClF3NO/c14-12-10(6-7-11(18-12)13(15,16)17)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRKKNZGCONYVFKC-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.33
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-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine (CID 102361414) is 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(OCc2ccccc2)c(Cl)n1.
What is the InChIKey of 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
The InChIKey is RKKNZGCONYVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-12-10(6-7-11(18-12)13(15,16)17)19-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine has a molecular weight of 287.67 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 102361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).