6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile

C9H4FN3O — CID 67086426

IUPAC6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(-c2ncco2)c1
InChIInChI=1S/C9H4FN3O/c10-8-7(9-12-1-2-14-9)3-6(4-11)5-13-8/h1-3,5H
InChIKeyBXUBDHXYTKSLHG-UHFFFAOYSA-N
MW189.15 g/mol
LogP1.75
Rot. Bonds1

About 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile

6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile (PubChem CID 67086426) has the molecular formula C9H4FN3O and a molecular weight of 189.15 g/mol. Its IUPAC name is 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
PubChem CID67086426
Molecular FormulaC9H4FN3O
Molecular Weight189.15 g/mol
Exact Mass189.03
IUPAC Name6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(-c2ncco2)c1
InChIInChI=1S/C9H4FN3O/c10-8-7(9-12-1-2-14-9)3-6(4-11)5-13-8/h1-3,5H
InChIKeyBXUBDHXYTKSLHG-UHFFFAOYSA-N
XLogP1.75
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
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-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile (CID 67086426) is 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile is N#Cc1cnc(F)c(-c2ncco2)c1.
What is the InChIKey of 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is BXUBDHXYTKSLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FN3O/c10-8-7(9-12-1-2-14-9)3-6(4-11)5-13-8/h1-3,5H.
What are the key properties of 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 189.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 67086426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).