6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide

C9H6ClN3O2 — CID 62415435

IUPAC6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnoc1)c1ccc(Cl)nc1
InChIInChI=1S/C9H6ClN3O2/c10-8-2-1-6(3-11-8)9(14)13-7-4-12-15-5-7/h1-5H,(H,13,14)
InChIKeyZKCCZSCXALXQBF-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.98
Rot. Bonds2

About 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide

6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide (PubChem CID 62415435) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
PubChem CID62415435
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnoc1)c1ccc(Cl)nc1
InChIInChI=1S/C9H6ClN3O2/c10-8-2-1-6(3-11-8)9(14)13-7-4-12-15-5-7/h1-5H,(H,13,14)
InChIKeyZKCCZSCXALXQBF-UHFFFAOYSA-N
XLogP1.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide (CID 62415435) is 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cnoc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The InChIKey is ZKCCZSCXALXQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-8-2-1-6(3-11-8)9(14)13-7-4-12-15-5-7/h1-5H,(H,13,14).
What are the key properties of 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62415435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).