2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid

C12H5Cl5N2O3 — CID 159765877

IUPAC2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
SMILESO=C(Cl)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C6H2Cl3NO.C6H3Cl2NO2/c7-4-2-1-3(6(9)11)5(8)10-4;7-4-2-1-3(6(10)11)5(8)9-4/h1-2H;1-2H,(H,10,11)
InChIKeyNFMKNWFYXQDZCY-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.85
Rot. Bonds2

About 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid

2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid (PubChem CID 159765877) has the molecular formula C12H5Cl5N2O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
PubChem CID159765877
Molecular FormulaC12H5Cl5N2O3
Molecular Weight402.45 g/mol
Exact Mass399.87
IUPAC Name2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
SMILESO=C(Cl)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C6H2Cl3NO.C6H3Cl2NO2/c7-4-2-1-3(6(9)11)5(8)10-4;7-4-2-1-3(6(10)11)5(8)9-4/h1-2H;1-2H,(H,10,11)
InChIKeyNFMKNWFYXQDZCY-UHFFFAOYSA-N
XLogP4.85
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
CID 158642535
2,6-dichloropyridine-3-carboxamide
CID 22142778
2,6-dichloropyridine-3-carboxylic acid;methanol;methyl 2,6-dichloropyridine-3-carboxylate;thionyl dichloride
CID 160688550
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
1-(2,6-dichloro-3-pyridinyl)-2,2,2-trifluoroethanone
CID 71301905
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
2-(2,6-dichloropyridine-3-carbonyl)-5-nitrobenzoic acid
CID 14091944
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
CID 156880920
6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid
CID 156695510
6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid
CID 163945286

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid?
The IUPAC name of 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid (CID 159765877) is 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid is O=C(Cl)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid?
The InChIKey is NFMKNWFYXQDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3NO.C6H3Cl2NO2/c7-4-2-1-3(6(9)11)5(8)10-4;7-4-2-1-3(6(10)11)5(8)9-4/h1-2H;1-2H,(H,10,11).
What are the key properties of 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid?
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid has a molecular weight of 402.45 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid is sourced from PubChem (CID 159765877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).