3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine

C8H10Cl2N2O3 — CID 175064916

IUPAC3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
SMILESCCON.O=C(O)c1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-9-5(4(3)8)6(10)11;1-2-4-3/h1-2H,(H,10,11);2-3H2,1H3
InChIKeyLHRXOUFYNCLCEZ-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.98
Rot. Bonds2

About 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine

3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine (PubChem CID 175064916) has the molecular formula C8H10Cl2N2O3 and a molecular weight of 253.08 g/mol. Its IUPAC name is 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine.

Molecular Properties

Compound Name3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
PubChem CID175064916
Molecular FormulaC8H10Cl2N2O3
Molecular Weight253.08 g/mol
Exact Mass252.01
IUPAC Name3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
SMILESCCON.O=C(O)c1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-9-5(4(3)8)6(10)11;1-2-4-3/h1-2H,(H,10,11);2-3H2,1H3
InChIKeyLHRXOUFYNCLCEZ-UHFFFAOYSA-N
XLogP1.98
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
3,4-dichloro-N-ethylpyridine-2-carboxamide
CID 123182063
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
ethyl (E)-2-(3,4-dichloropyridine-2-carbonyl)-3-(dimethylamino)prop-2-enoate
CID 154941489
3,4-dichloropyridine-2-carboxylate;triethylazanium
CID 141267432
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326
4-chloropyridine-2,3-dicarboxylic acid;zinc
CID 156700438
4-chloropyridine-2,3-dicarboxylic acid;hydrate
CID 141172424
3,4-dichloro-2-prop-1-en-2-ylpyridine
CID 19901328
tetraazanium;3,4-dichloropyridine-2-carboxylate;tris(propan-2-olate)
CID 141226977
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine?
The IUPAC name of 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine (CID 175064916) is 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine.
What is the SMILES notation for 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine?
The canonical SMILES for 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine is CCON.O=C(O)c1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine?
The InChIKey is LHRXOUFYNCLCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-9-5(4(3)8)6(10)11;1-2-4-3/h1-2H,(H,10,11);2-3H2,1H3.
What are the key properties of 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine?
3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine has a molecular weight of 253.08 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine is sourced from PubChem (CID 175064916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).