3,6-dichloropyridine-2-carboxamide

C6H4Cl2N2O — CID 728681

IUPAC3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2N2O/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H,(H2,9,11)
InChIKeyRFBSMVHKAFPDKD-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.49
Rot. Bonds1

About 3,6-dichloropyridine-2-carboxamide

3,6-dichloropyridine-2-carboxamide (PubChem CID 728681) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carboxamide
PubChem CID728681
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2N2O/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H,(H2,9,11)
InChIKeyRFBSMVHKAFPDKD-UHFFFAOYSA-N
XLogP1.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-carboxamide?
The IUPAC name of 3,6-dichloropyridine-2-carboxamide (CID 728681) is 3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloropyridine-2-carboxamide is NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridine-2-carboxamide?
The InChIKey is RFBSMVHKAFPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H,(H2,9,11).
What are the key properties of 3,6-dichloropyridine-2-carboxamide?
3,6-dichloropyridine-2-carboxamide has a molecular weight of 191.02 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 728681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).