2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine

C8H7BrF3NO — CID 130898141

IUPAC2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
SMILESCc1c(OC(F)(F)F)cnc(Br)c1C
InChIInChI=1S/C8H7BrF3NO/c1-4-5(2)7(9)13-3-6(4)14-8(10,11)12/h3H,1-2H3
InChIKeyUDNRCFLBXTUSBA-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.36
Rot. Bonds1

About 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine

2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine (PubChem CID 130898141) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
PubChem CID130898141
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
SMILESCc1c(OC(F)(F)F)cnc(Br)c1C
InChIInChI=1S/C8H7BrF3NO/c1-4-5(2)7(9)13-3-6(4)14-8(10,11)12/h3H,1-2H3
InChIKeyUDNRCFLBXTUSBA-UHFFFAOYSA-N
XLogP3.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.36
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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Related Compounds

2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
3-bromo-4-fluoro-2-methyl-5-(trifluoromethoxy)pyridine
CID 131214212
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 118826226
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
2-bromo-5-fluoro-3,4-dimethylpyridine
CID 83485488
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine (CID 130898141) is 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine is Cc1c(OC(F)(F)F)cnc(Br)c1C.
What is the InChIKey of 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine?
The InChIKey is UDNRCFLBXTUSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c1-4-5(2)7(9)13-3-6(4)14-8(10,11)12/h3H,1-2H3.
What are the key properties of 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine?
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine has a molecular weight of 270.05 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130898141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).