4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride

C13H6Cl4FNO2 — CID 86709869

IUPAC4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)Cl)cc(Cl)c2Cl)c1F
InChIInChI=1S/C13H6Cl4FNO2/c1-21-12-6(14)3-2-5(10(12)18)11-9(16)7(15)4-8(19-11)13(17)20/h2-4H,1H3
InChIKeyZHWBNBHTQZRIQD-UHFFFAOYSA-N
MW369.01 g/mol
LogP5.24
Rot. Bonds3

About 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride

4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride (PubChem CID 86709869) has the molecular formula C13H6Cl4FNO2 and a molecular weight of 369.01 g/mol. Its IUPAC name is 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride
PubChem CID86709869
Molecular FormulaC13H6Cl4FNO2
Molecular Weight369.01 g/mol
Exact Mass366.91
IUPAC Name4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)Cl)cc(Cl)c2Cl)c1F
InChIInChI=1S/C13H6Cl4FNO2/c1-21-12-6(14)3-2-5(10(12)18)11-9(16)7(15)4-8(19-11)13(17)20/h2-4H,1H3
InChIKeyZHWBNBHTQZRIQD-UHFFFAOYSA-N
XLogP5.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.01
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride?
The IUPAC name of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride (CID 86709869) is 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride is COc1c(Cl)ccc(-c2nc(C(=O)Cl)cc(Cl)c2Cl)c1F.
What is the InChIKey of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride?
The InChIKey is ZHWBNBHTQZRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4FNO2/c1-21-12-6(14)3-2-5(10(12)18)11-9(16)7(15)4-8(19-11)13(17)20/h2-4H,1H3.
What are the key properties of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride?
4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride has a molecular weight of 369.01 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 86709869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).