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

C9H6BrN3O2 — CID 103889880

IUPAC6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnoc1)c1cccc(Br)n1
InChIInChI=1S/C9H6BrN3O2/c10-8-3-1-2-7(13-8)9(14)12-6-4-11-15-5-6/h1-5H,(H,12,14)
InChIKeyYSPABORWFZEGND-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.08
Rot. Bonds2

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

6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide (PubChem CID 103889880) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
PubChem CID103889880
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC Name6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnoc1)c1cccc(Br)n1
InChIInChI=1S/C9H6BrN3O2/c10-8-3-1-2-7(13-8)9(14)12-6-4-11-15-5-6/h1-5H,(H,12,14)
InChIKeyYSPABORWFZEGND-UHFFFAOYSA-N
XLogP2.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.08
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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Related Compounds

6-(1,2-oxazol-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62915437
6-amino-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62914715
6-hydrazinyl-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913247
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
CID 170719912
6-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 103874045
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 103875193
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide (CID 103889880) is 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cnoc1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YSPABORWFZEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c10-8-3-1-2-7(13-8)9(14)12-6-4-11-15-5-6/h1-5H,(H,12,14).
What are the key properties of 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide?
6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide has a molecular weight of 268.07 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103889880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).