2-bromo-6-methoxy-4-(trifluoromethyl)pyridine

C14H10Br2F6N2O2 — CID 129248998

IUPAC2-bromo-6-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)cc(Br)n1.COc1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/2C7H5BrF3NO/c2*1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2*2-3H,1H3
InChIKeyVTOMRTCBCFZSII-UHFFFAOYSA-N
MW512.04 g/mol
LogP5.74
Rot. Bonds2

About 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine

2-bromo-6-methoxy-4-(trifluoromethyl)pyridine (PubChem CID 129248998) has the molecular formula C14H10Br2F6N2O2 and a molecular weight of 512.04 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-(trifluoromethyl)pyridine
PubChem CID129248998
Molecular FormulaC14H10Br2F6N2O2
Molecular Weight512.04 g/mol
Exact Mass509.90
IUPAC Name2-bromo-6-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)cc(Br)n1.COc1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/2C7H5BrF3NO/c2*1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2*2-3H,1H3
InChIKeyVTOMRTCBCFZSII-UHFFFAOYSA-N
XLogP5.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.04
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-6-methoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine (CID 129248998) is 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine is COc1cc(C(F)(F)F)cc(Br)n1.COc1cc(C(F)(F)F)cc(Br)n1.
What is the InChIKey of 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine?
The InChIKey is VTOMRTCBCFZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5BrF3NO/c2*1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2*2-3H,1H3.
What are the key properties of 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine?
2-bromo-6-methoxy-4-(trifluoromethyl)pyridine has a molecular weight of 512.04 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 129248998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).