5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine

C8H8BrF2NO — CID 130068654

IUPAC5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
SMILESCOc1cc(Br)c(C)nc1C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-5(9)3-6(13-2)7(12-4)8(10)11/h3,8H,1-2H3
InChIKeyDCBJZRDKRBFYMW-UHFFFAOYSA-N
MW252.06 g/mol
LogP3.10
Rot. Bonds2

About 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine

5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine (PubChem CID 130068654) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
PubChem CID130068654
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
SMILESCOc1cc(Br)c(C)nc1C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-5(9)3-6(13-2)7(12-4)8(10)11/h3,8H,1-2H3
InChIKeyDCBJZRDKRBFYMW-UHFFFAOYSA-N
XLogP3.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-sulfonamide
CID 118826062
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
6-(difluoromethyl)-2,5-dimethoxypyridin-3-amine
CID 130100784
2-(difluoromethyl)-4-methoxy-3,6-dimethylpyridine
CID 130101198
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
CID 118843665
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
CID 118843442

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine (CID 130068654) is 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine is COc1cc(Br)c(C)nc1C(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine?
The InChIKey is DCBJZRDKRBFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-5(9)3-6(13-2)7(12-4)8(10)11/h3,8H,1-2H3.
What are the key properties of 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine?
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine has a molecular weight of 252.06 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine is sourced from PubChem (CID 130068654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).