6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine

C8H8BrF2NO — CID 130068624

IUPAC6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCOc1nc(Br)cc(C(F)F)c1C
InChIInChI=1S/C8H8BrF2NO/c1-4-5(7(10)11)3-6(9)12-8(4)13-2/h3,7H,1-2H3
InChIKeyBIIHXCYKMHVRJM-UHFFFAOYSA-N
MW252.06 g/mol
LogP3.10
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine

6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine (PubChem CID 130068624) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
PubChem CID130068624
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCOc1nc(Br)cc(C(F)F)c1C
InChIInChI=1S/C8H8BrF2NO/c1-4-5(7(10)11)3-6(9)12-8(4)13-2/h3,7H,1-2H3
InChIKeyBIIHXCYKMHVRJM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 177024282
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine (CID 130068624) is 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine is COc1nc(Br)cc(C(F)F)c1C.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
The InChIKey is BIIHXCYKMHVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-5(7(10)11)3-6(9)12-8(4)13-2/h3,7H,1-2H3.
What are the key properties of 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine?
6-bromo-4-(difluoromethyl)-2-methoxy-3-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 6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 130068624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).