3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine

C12H18Cl2N2O2 — CID 146636056

IUPAC3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.O=C(O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2NO2.C6H15N/c7-3-1-2-4(8)9-5(3)6(10)11;1-4-7(5-2)6-3/h1-2H,(H,10,11);4-6H2,1-3H3
InChIKeyJONAGWVHUCNZBH-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.43
Rot. Bonds4

About 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine

3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine (PubChem CID 146636056) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine
PubChem CID146636056
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.O=C(O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2NO2.C6H15N/c7-3-1-2-4(8)9-5(3)6(10)11;1-4-7(5-2)6-3/h1-2H,(H,10,11);4-6H2,1-3H3
InChIKeyJONAGWVHUCNZBH-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Clopyralid
CID 15553
Aminopyralid
CID 213012
6-Chloropicolinic acid
CID 20812
Clopyralid-olamine
CID 162839
3,4,5-Trichloropyridine-2-carboxylic acid
CID 225521
4-Chloropyridine-2-carboxylic acid
CID 230890
4-Chloro-2,6-pyridinedicarboxylic Acid
CID 304010
Methyl 6-chloropicolinate
CID 242723
Clopyralid-methyl
CID 526485
picloram triethylamine salt
CID 61949
Clopyralid-potassium
CID 23674252
3,5-Dichloro-2-pyridinecarboxylic acid
CID 219989

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine?
The IUPAC name of 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine (CID 146636056) is 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine.
What is the SMILES notation for 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine?
The canonical SMILES for 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine is CCN(CC)CC.O=C(O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine?
The InChIKey is JONAGWVHUCNZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.C6H15N/c7-3-1-2-4(8)9-5(3)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 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine?
3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine has a molecular weight of 293.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carboxylic acid;N,N-diethylethanamine is sourced from PubChem (CID 146636056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).