5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide

C9H10Cl2N2O2 — CID 119054669

IUPAC5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cc(Cl)c(Cl)nc1C
InChIInChI=1S/C9H10Cl2N2O2/c1-5-6(9(14)13(2)15-3)4-7(10)8(11)12-5/h4H,1-3H3
InChIKeyAHVPRNSTTGJBCX-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.33
Rot. Bonds2

About 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide

5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide (PubChem CID 119054669) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
PubChem CID119054669
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cc(Cl)c(Cl)nc1C
InChIInChI=1S/C9H10Cl2N2O2/c1-5-6(9(14)13(2)15-3)4-7(10)8(11)12-5/h4H,1-3H3
InChIKeyAHVPRNSTTGJBCX-UHFFFAOYSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide (CID 119054669) is 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide is CON(C)C(=O)c1cc(Cl)c(Cl)nc1C.
What is the InChIKey of 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is AHVPRNSTTGJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5-6(9(14)13(2)15-3)4-7(10)8(11)12-5/h4H,1-3H3.
What are the key properties of 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide?
5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 249.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 119054669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).