2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine

C8H7ClF3NO — CID 135200908

IUPAC2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine
SMILESCOCc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H7ClF3NO/c1-14-4-6-2-5(8(10,11)12)3-7(9)13-6/h2-3H,4H2,1H3
InChIKeyAHRRDDTXTRWWLM-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine

2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine (PubChem CID 135200908) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine
PubChem CID135200908
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine
SMILESCOCc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H7ClF3NO/c1-14-4-6-2-5(8(10,11)12)3-7(9)13-6/h2-3H,4H2,1H3
InChIKeyAHRRDDTXTRWWLM-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.90
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-6-(methoxymethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine (CID 135200908) is 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine is COCc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is AHRRDDTXTRWWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-14-4-6-2-5(8(10,11)12)3-7(9)13-6/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 225.60 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methoxymethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 135200908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).