2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride

C12H6Cl3NO2 — CID 170944074

IUPAC2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-7-3-4-10(9(14)6-7)18-12-8(11(15)17)2-1-5-16-12/h1-6H
InChIKeyCHUDSLKUYPVITH-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.56
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride

2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride (PubChem CID 170944074) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
PubChem CID170944074
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-7-3-4-10(9(14)6-7)18-12-8(11(15)17)2-1-5-16-12/h1-6H
InChIKeyCHUDSLKUYPVITH-UHFFFAOYSA-N
XLogP4.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)pyridine-3-carbonyl]-methylamino]acetic acid
CID 99697568
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120601228
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120659391
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
CID 119639378
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120818027
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride (CID 170944074) is 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride is O=C(Cl)c1cccnc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride?
The InChIKey is CHUDSLKUYPVITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-7-3-4-10(9(14)6-7)18-12-8(11(15)17)2-1-5-16-12/h1-6H.
What are the key properties of 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride?
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride has a molecular weight of 302.54 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 170944074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).