6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine

C7H5BrF3NO2 — CID 130089390

IUPAC6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c1-13-6-4(14-7(9,10)11)2-3-5(8)12-6/h2-3H,1H3
InChIKeyZQHBSVQBAMHAAL-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.75
Rot. Bonds2

About 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine

6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 130089390) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID130089390
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c1-13-6-4(14-7(9,10)11)2-3-5(8)12-6/h2-3H,1H3
InChIKeyZQHBSVQBAMHAAL-UHFFFAOYSA-N
XLogP2.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085661
6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096340
methyl 6-bromo-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028986
6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089553
(6-bromo-2-methoxy-3-pyridinyl) prop-2-enoate
CID 174669452
3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
CID 130112551
3-methoxy-6-methyl-2-(trifluoromethoxy)pyridine
CID 130093146
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826966
2-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 68904963
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
CID 130089712
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine (CID 130089390) is 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine is COc1nc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is ZQHBSVQBAMHAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c1-13-6-4(14-7(9,10)11)2-3-5(8)12-6/h2-3H,1H3.
What are the key properties of 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine?
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 272.02 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).