3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide

C9H6Cl2N4O — CID 60967376

IUPAC3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-5-1-2-6(11)14-7(5)8(16)15-9-12-3-4-13-9/h1-4H,(H2,12,13,15,16)
InChIKeyJCFOPUDKQLQEPM-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.36
Rot. Bonds2

About 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide

3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide (PubChem CID 60967376) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
PubChem CID60967376
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-5-1-2-6(11)14-7(5)8(16)15-9-12-3-4-13-9/h1-4H,(H2,12,13,15,16)
InChIKeyJCFOPUDKQLQEPM-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.36
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-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide (CID 60967376) is 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide is O=C(Nc1ncc[nH]1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
The InChIKey is JCFOPUDKQLQEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-5-1-2-6(11)14-7(5)8(16)15-9-12-3-4-13-9/h1-4H,(H2,12,13,15,16).
What are the key properties of 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 60967376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).