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

C8H7BrF3NO — CID 118704153

IUPAC4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1cc(CBr)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7BrF3NO/c1-14-7-3-5(4-9)2-6(13-7)8(10,11)12/h2-3H,4H2,1H3
InChIKeyHWBCOACGFFWMKI-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.00
Rot. Bonds2

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

4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 118704153) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
PubChem CID118704153
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1cc(CBr)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7BrF3NO/c1-14-7-3-5(4-9)2-6(13-7)8(10,11)12/h2-3H,4H2,1H3
InChIKeyHWBCOACGFFWMKI-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704434
4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118703946
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 83882637
4-(bromomethyl)-2,6-ditert-butylpyridine
CID 12930888
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine
CID 153376648
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]borinic acid
CID 56844351
3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
CID 145361055

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine (CID 118704153) is 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine is COc1cc(CBr)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is HWBCOACGFFWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c1-14-7-3-5(4-9)2-6(13-7)8(10,11)12/h2-3H,4H2,1H3.
What are the key properties of 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 270.05 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118704153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).