3,4-dichloropyridine-2-carboxylate;triethylazanium

C12H18Cl2N2O2 — CID 141267432

IUPAC3,4-dichloropyridine-2-carboxylate;triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])c1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2.C6H15N/c7-3-1-2-9-5(4(3)8)6(10)11;1-4-7(5-2)6-3/h1-2H,(H,10,11);4-6H2,1-3H3
InChIKeyGRDOCKBIZNXRBD-UHFFFAOYSA-N
MW293.19 g/mol
LogP0.68
Rot. Bonds4

About 3,4-dichloropyridine-2-carboxylate;triethylazanium

3,4-dichloropyridine-2-carboxylate;triethylazanium (PubChem CID 141267432) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 3,4-dichloropyridine-2-carboxylate;triethylazanium.

Molecular Properties

Compound Name3,4-dichloropyridine-2-carboxylate;triethylazanium
PubChem CID141267432
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name3,4-dichloropyridine-2-carboxylate;triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])c1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2.C6H15N/c7-3-1-2-9-5(4(3)8)6(10)11;1-4-7(5-2)6-3/h1-2H,(H,10,11);4-6H2,1-3H3
InChIKeyGRDOCKBIZNXRBD-UHFFFAOYSA-N
XLogP0.68
TPSA57.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tetraazanium;3,4-dichloropyridine-2-carboxylate;tris(propan-2-olate)
CID 141226977
3,4-dichloro-N-ethylpyridine-2-carboxamide
CID 123182063
3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
CID 175064916
3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
diazanium;3-chloropyridine-2-carboxylate;ethanolate
CID 141333472
3,4-dichloro-2-prop-1-en-2-ylpyridine
CID 19901328
4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium
CID 141408842
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate
CID 21297320
ethyl (E)-2-(3,4-dichloropyridine-2-carbonyl)-3-(dimethylamino)prop-2-enoate
CID 154941489
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide
CID 155713883

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloropyridine-2-carboxylate;triethylazanium?
The IUPAC name of 3,4-dichloropyridine-2-carboxylate;triethylazanium (CID 141267432) is 3,4-dichloropyridine-2-carboxylate;triethylazanium.
What is the SMILES notation for 3,4-dichloropyridine-2-carboxylate;triethylazanium?
The canonical SMILES for 3,4-dichloropyridine-2-carboxylate;triethylazanium is CC[NH+](CC)CC.O=C([O-])c1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloropyridine-2-carboxylate;triethylazanium?
The InChIKey is GRDOCKBIZNXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.C6H15N/c7-3-1-2-9-5(4(3)8)6(10)11;1-4-7(5-2)6-3/h1-2H,(H,10,11);4-6H2,1-3H3.
What are the key properties of 3,4-dichloropyridine-2-carboxylate;triethylazanium?
3,4-dichloropyridine-2-carboxylate;triethylazanium has a molecular weight of 293.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloropyridine-2-carboxylate;triethylazanium is sourced from PubChem (CID 141267432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).