6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride

C8H5BrClF2NO2 — CID 134670863

IUPAC6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cc(C(F)F)c(C(=O)Cl)nc1Br
InChIInChI=1S/C8H5BrClF2NO2/c1-15-4-2-3(8(11)12)5(7(10)14)13-6(4)9/h2,8H,1H3
InChIKeyAHPGMHMJNCTDOR-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.17
Rot. Bonds3

About 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride

6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride (PubChem CID 134670863) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
PubChem CID134670863
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Name6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cc(C(F)F)c(C(=O)Cl)nc1Br
InChIInChI=1S/C8H5BrClF2NO2/c1-15-4-2-3(8(11)12)5(7(10)14)13-6(4)9/h2,8H,1H3
InChIKeyAHPGMHMJNCTDOR-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118992492
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525
3-(difluoromethyl)-5-methoxy-6-methylpyridine-2-carboxamide
CID 133098966
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480
6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
CID 133105710
6-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 118804374

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride (CID 134670863) is 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride is COc1cc(C(F)F)c(C(=O)Cl)nc1Br.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
The InChIKey is AHPGMHMJNCTDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c1-15-4-2-3(8(11)12)5(7(10)14)13-6(4)9/h2,8H,1H3.
What are the key properties of 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride has a molecular weight of 300.49 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 134670863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).