2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride

C7H3Cl3FNO — CID 54448923

IUPAC2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
SMILESCc1c(F)c(Cl)nc(Cl)c1C(=O)Cl
InChIInChI=1S/C7H3Cl3FNO/c1-2-3(7(10)13)5(8)12-6(9)4(2)11/h1H3
InChIKeyWTNRFVCOYIPYKD-UHFFFAOYSA-N
MW242.46 g/mol
LogP3.21
Rot. Bonds1

About 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride

2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride (PubChem CID 54448923) has the molecular formula C7H3Cl3FNO and a molecular weight of 242.46 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
PubChem CID54448923
Molecular FormulaC7H3Cl3FNO
Molecular Weight242.46 g/mol
Exact Mass240.93
IUPAC Name2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
SMILESCc1c(F)c(Cl)nc(Cl)c1C(=O)Cl
InChIInChI=1S/C7H3Cl3FNO/c1-2-3(7(10)13)5(8)12-6(9)4(2)11/h1H3
InChIKeyWTNRFVCOYIPYKD-UHFFFAOYSA-N
XLogP3.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride?
The IUPAC name of 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride (CID 54448923) is 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride is Cc1c(F)c(Cl)nc(Cl)c1C(=O)Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride?
The InChIKey is WTNRFVCOYIPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3FNO/c1-2-3(7(10)13)5(8)12-6(9)4(2)11/h1H3.
What are the key properties of 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride?
2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride has a molecular weight of 242.46 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 54448923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).