5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile

C18H14F2N4O2 — CID 138471353

IUPAC5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile
SMILESCn1nccc1-c1cc(OCCOc2ncc(C#N)cc2F)ccc1F
InChIInChI=1S/C18H14F2N4O2/c1-24-17(4-5-23-24)14-9-13(2-3-15(14)19)25-6-7-26-18-16(20)8-12(10-21)11-22-18/h2-5,8-9,11H,6-7H2,1H3
InChIKeyVZNOYSBRGYOEFV-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.09
Rot. Bonds6

About 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile

5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile (PubChem CID 138471353) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile
PubChem CID138471353
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile
SMILESCn1nccc1-c1cc(OCCOc2ncc(C#N)cc2F)ccc1F
InChIInChI=1S/C18H14F2N4O2/c1-24-17(4-5-23-24)14-9-13(2-3-15(14)19)25-6-7-26-18-16(20)8-12(10-21)11-22-18/h2-5,8-9,11H,6-7H2,1H3
InChIKeyVZNOYSBRGYOEFV-UHFFFAOYSA-N
XLogP3.09
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile (CID 138471353) is 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile is Cn1nccc1-c1cc(OCCOc2ncc(C#N)cc2F)ccc1F.
What is the InChIKey of 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
The InChIKey is VZNOYSBRGYOEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-24-17(4-5-23-24)14-9-13(2-3-15(14)19)25-6-7-26-18-16(20)8-12(10-21)11-22-18/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile has a molecular weight of 356.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[4-fluoro-3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 138471353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).