3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine

C8H8BrF2NO2 — CID 130100804

IUPAC3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
SMILESCOc1cnc(OC)c(Br)c1C(F)F
InChIInChI=1S/C8H8BrF2NO2/c1-13-4-3-12-8(14-2)6(9)5(4)7(10)11/h3,7H,1-2H3
InChIKeyBIGFWIAOAWGFIY-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.80
Rot. Bonds3

About 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine

3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine (PubChem CID 130100804) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
PubChem CID130100804
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
SMILESCOc1cnc(OC)c(Br)c1C(F)F
InChIInChI=1S/C8H8BrF2NO2/c1-13-4-3-12-8(14-2)6(9)5(4)7(10)11/h3,7H,1-2H3
InChIKeyBIGFWIAOAWGFIY-UHFFFAOYSA-N
XLogP2.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 118817420
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
4-bromo-2,3,5-trimethoxypyridine
CID 84706374
3-(difluoromethyl)-2,5-dimethoxypyridine-4-sulfonamide
CID 134670782
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine?
The IUPAC name of 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine (CID 130100804) is 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine is COc1cnc(OC)c(Br)c1C(F)F.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine?
The InChIKey is BIGFWIAOAWGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c1-13-4-3-12-8(14-2)6(9)5(4)7(10)11/h3,7H,1-2H3.
What are the key properties of 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine?
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine has a molecular weight of 268.06 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine is sourced from PubChem (CID 130100804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).