4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine

C8H7BrClF2NO — CID 130068807

IUPAC4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
SMILESCOc1c(Br)cc(C(F)F)nc1CCl
InChIInChI=1S/C8H7BrClF2NO/c1-14-7-4(9)2-5(8(11)12)13-6(7)3-10/h2,8H,3H2,1H3
InChIKeyKUZRNWHQLOZVLT-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine

4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine (PubChem CID 130068807) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
PubChem CID130068807
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
SMILESCOc1c(Br)cc(C(F)F)nc1CCl
InChIInChI=1S/C8H7BrClF2NO/c1-14-7-4(9)2-5(8(11)12)13-6(7)3-10/h2,8H,3H2,1H3
InChIKeyKUZRNWHQLOZVLT-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070560
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
CID 118809962
3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796
2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine
CID 134659693
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
CID 118814262
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine?
The IUPAC name of 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine (CID 130068807) is 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine?
The canonical SMILES for 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine is COc1c(Br)cc(C(F)F)nc1CCl.
What is the InChIKey of 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine?
The InChIKey is KUZRNWHQLOZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c1-14-7-4(9)2-5(8(11)12)13-6(7)3-10/h2,8H,3H2,1H3.
What are the key properties of 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine?
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine has a molecular weight of 286.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine is sourced from PubChem (CID 130068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).