5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine

C8H7BrClF2NO — CID 130073771

IUPAC5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
SMILESCOc1c(CBr)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H7BrClF2NO/c1-14-7-4(2-9)3-13-6(5(7)10)8(11)12/h3,8H,2H2,1H3
InChIKeyIRBZKLLVJXEYPR-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.58
Rot. Bonds3

About 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine

5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine (PubChem CID 130073771) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
PubChem CID130073771
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
SMILESCOc1c(CBr)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H7BrClF2NO/c1-14-7-4(2-9)3-13-6(5(7)10)8(11)12/h3,8H,2H2,1H3
InChIKeyIRBZKLLVJXEYPR-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.58
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

[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
5-chloro-6-(difluoromethyl)-4-methoxypyridine-3-sulfonamide
CID 134686410
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
CID 130101296
3-(bromomethyl)-5-chloro-4-methoxypyridine
CID 130849755
ethyl 2-[5-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134686280
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118805918
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine?
The IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine (CID 130073771) is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine.
What is the SMILES notation for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine?
The canonical SMILES for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine is COc1c(CBr)cnc(C(F)F)c1Cl.
What is the InChIKey of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine?
The InChIKey is IRBZKLLVJXEYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c1-14-7-4(2-9)3-13-6(5(7)10)8(11)12/h3,8H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine?
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine has a molecular weight of 286.50 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine is sourced from PubChem (CID 130073771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).