2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine

C14H16FN3O — CID 67317412

IUPAC2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
SMILESFc1ccc(-c2nccn2CC2CCOCC2)cn1
InChIInChI=1S/C14H16FN3O/c15-13-2-1-12(9-17-13)14-16-5-6-18(14)10-11-3-7-19-8-4-11/h1-2,5-6,9,11H,3-4,7-8,10H2
InChIKeyQTHMRFZPMNCNMM-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.51
Rot. Bonds3

About 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine

2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine (PubChem CID 67317412) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
PubChem CID67317412
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
SMILESFc1ccc(-c2nccn2CC2CCOCC2)cn1
InChIInChI=1S/C14H16FN3O/c15-13-2-1-12(9-17-13)14-16-5-6-18(14)10-11-3-7-19-8-4-11/h1-2,5-6,9,11H,3-4,7-8,10H2
InChIKeyQTHMRFZPMNCNMM-UHFFFAOYSA-N
XLogP2.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.51
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 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
The IUPAC name of 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine (CID 67317412) is 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine is Fc1ccc(-c2nccn2CC2CCOCC2)cn1.
What is the InChIKey of 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
The InChIKey is QTHMRFZPMNCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-2-1-12(9-17-13)14-16-5-6-18(14)10-11-3-7-19-8-4-11/h1-2,5-6,9,11H,3-4,7-8,10H2.
What are the key properties of 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine?
2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine has a molecular weight of 261.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 67317412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).