3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine

C9H9BrF3NO2 — CID 130113330

IUPAC3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
SMILESCOc1nc(OC(F)(F)F)cc(C)c1CBr
InChIInChI=1S/C9H9BrF3NO2/c1-5-3-7(16-9(11,12)13)14-8(15-2)6(5)4-10/h3H,4H2,1-2H3
InChIKeyKJINBBPXMJNPSA-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.19
Rot. Bonds3

About 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine

3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine (PubChem CID 130113330) has the molecular formula C9H9BrF3NO2 and a molecular weight of 300.07 g/mol. Its IUPAC name is 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
PubChem CID130113330
Molecular FormulaC9H9BrF3NO2
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC Name3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
SMILESCOc1nc(OC(F)(F)F)cc(C)c1CBr
InChIInChI=1S/C9H9BrF3NO2/c1-5-3-7(16-9(11,12)13)14-8(15-2)6(5)4-10/h3H,4H2,1-2H3
InChIKeyKJINBBPXMJNPSA-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112748
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134665228
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
2-methoxy-3-methyl-6-(trifluoromethoxy)pyridine
CID 130093123
[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131266022
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine
CID 84658523
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119013970
2-[2-(bromomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118855182

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine (CID 130113330) is 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine is COc1nc(OC(F)(F)F)cc(C)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine?
The InChIKey is KJINBBPXMJNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2/c1-5-3-7(16-9(11,12)13)14-8(15-2)6(5)4-10/h3H,4H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine?
3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine has a molecular weight of 300.07 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130113330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).