4,6-dichloro-N-oxopyridine-3-carboxamide

C6H2Cl2N2O2 — CID 87806205

IUPAC4,6-dichloro-N-oxopyridine-3-carboxamide
SMILESO=NC(=O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C6H2Cl2N2O2/c7-4-1-5(8)9-2-3(4)6(11)10-12/h1-2H
InChIKeyMVWDEXVRVJGSDK-UHFFFAOYSA-N
MW205.00 g/mol
LogP2.30
Rot. Bonds1

About 4,6-dichloro-N-oxopyridine-3-carboxamide

4,6-dichloro-N-oxopyridine-3-carboxamide (PubChem CID 87806205) has the molecular formula C6H2Cl2N2O2 and a molecular weight of 205.00 g/mol. Its IUPAC name is 4,6-dichloro-N-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-oxopyridine-3-carboxamide
PubChem CID87806205
Molecular FormulaC6H2Cl2N2O2
Molecular Weight205.00 g/mol
Exact Mass203.95
IUPAC Name4,6-dichloro-N-oxopyridine-3-carboxamide
SMILESO=NC(=O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C6H2Cl2N2O2/c7-4-1-5(8)9-2-3(4)6(11)10-12/h1-2H
InChIKeyMVWDEXVRVJGSDK-UHFFFAOYSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.00
LogP ≤ 52.30
H-Bond Donors ≤ 50
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 4,6-dichloro-N-oxopyridine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-oxopyridine-3-carboxamide (CID 87806205) is 4,6-dichloro-N-oxopyridine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-oxopyridine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-oxopyridine-3-carboxamide is O=NC(=O)c1cnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloro-N-oxopyridine-3-carboxamide?
The InChIKey is MVWDEXVRVJGSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2/c7-4-1-5(8)9-2-3(4)6(11)10-12/h1-2H.
What are the key properties of 4,6-dichloro-N-oxopyridine-3-carboxamide?
4,6-dichloro-N-oxopyridine-3-carboxamide has a molecular weight of 205.00 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-oxopyridine-3-carboxamide is sourced from PubChem (CID 87806205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).