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

C8H10Cl2N2O2 — CID 53373854

IUPAC3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine
SMILESCNC.O=C(O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2NO2.C2H7N/c7-3-1-2-4(8)9-5(3)6(10)11;1-3-2/h1-2H,(H,10,11);3H,1-2H3
InChIKeyCUASZCRMLPIGPY-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.92
Rot. Bonds1

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

3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine (PubChem CID 53373854) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine
PubChem CID53373854
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine
SMILESCNC.O=C(O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2NO2.C2H7N/c7-3-1-2-4(8)9-5(3)6(10)11;1-3-2/h1-2H,(H,10,11);3H,1-2H3
InChIKeyCUASZCRMLPIGPY-UHFFFAOYSA-N
XLogP1.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine?
The IUPAC name of 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine (CID 53373854) is 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine.
What is the SMILES notation for 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine?
The canonical SMILES for 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine is CNC.O=C(O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine?
The InChIKey is CUASZCRMLPIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.C2H7N/c7-3-1-2-4(8)9-5(3)6(10)11;1-3-2/h1-2H,(H,10,11);3H,1-2H3.
What are the key properties of 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine?
3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine has a molecular weight of 237.09 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carboxylic acid;N-methylmethanamine is sourced from PubChem (CID 53373854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).