2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine

C9H7BrF5NO — CID 118843944

IUPAC2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)F)nc(CBr)c1C(F)(F)F
InChIInChI=1S/C9H7BrF5NO/c1-17-6-2-4(8(11)12)16-5(3-10)7(6)9(13,14)15/h2,8H,3H2,1H3
InChIKeyROGCTWYBACZVNY-UHFFFAOYSA-N
MW320.06 g/mol
LogP3.94
Rot. Bonds3

About 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine

2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 118843944) has the molecular formula C9H7BrF5NO and a molecular weight of 320.06 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
PubChem CID118843944
Molecular FormulaC9H7BrF5NO
Molecular Weight320.06 g/mol
Exact Mass318.96
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)F)nc(CBr)c1C(F)(F)F
InChIInChI=1S/C9H7BrF5NO/c1-17-6-2-4(8(11)12)16-5(3-10)7(6)9(13,14)15/h2,8H,3H2,1H3
InChIKeyROGCTWYBACZVNY-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.06
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)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

4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
CID 130087789
2-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662813
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
methyl 2-[4-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134667633
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134671001
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134673140
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine (CID 118843944) is 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine is COc1cc(C(F)F)nc(CBr)c1C(F)(F)F.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is ROGCTWYBACZVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO/c1-17-6-2-4(8(11)12)16-5(3-10)7(6)9(13,14)15/h2,8H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine?
2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine has a molecular weight of 320.06 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118843944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).