2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine

C7H5Br2F2NO — CID 119011483

IUPAC2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
SMILESCOc1nc(Br)c(Br)cc1C(F)F
InChIInChI=1S/C7H5Br2F2NO/c1-13-7-3(6(10)11)2-4(8)5(9)12-7/h2,6H,1H3
InChIKeyWLAWGEHPGARHBD-UHFFFAOYSA-N
MW316.93 g/mol
LogP3.55
Rot. Bonds2

About 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine

2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine (PubChem CID 119011483) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine.

Molecular Properties

Compound Name2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
PubChem CID119011483
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
SMILESCOc1nc(Br)c(Br)cc1C(F)F
InChIInChI=1S/C7H5Br2F2NO/c1-13-7-3(6(10)11)2-4(8)5(9)12-7/h2,6H,1H3
InChIKeyWLAWGEHPGARHBD-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.93
LogP ≤ 53.55
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

[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine
CID 119011795
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 130069062
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
2,3-dibromo-5,6-dimethoxypyridine
CID 23056693
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130068624

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine?
The IUPAC name of 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine (CID 119011483) is 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine.
What is the SMILES notation for 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine?
The canonical SMILES for 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine is COc1nc(Br)c(Br)cc1C(F)F.
What is the InChIKey of 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine?
The InChIKey is WLAWGEHPGARHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c1-13-7-3(6(10)11)2-4(8)5(9)12-7/h2,6H,1H3.
What are the key properties of 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine?
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine has a molecular weight of 316.93 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine is sourced from PubChem (CID 119011483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).