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

C18H15FN4O2 — CID 138486316

IUPAC5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile
SMILESCn1nccc1-c1cccc(OCCOc2ncc(C#N)cc2F)c1
InChIInChI=1S/C18H15FN4O2/c1-23-17(5-6-22-23)14-3-2-4-15(10-14)24-7-8-25-18-16(19)9-13(11-20)12-21-18/h2-6,9-10,12H,7-8H2,1H3
InChIKeyMKPWTRAKNFFCHZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.95
Rot. Bonds6

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

5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile (PubChem CID 138486316) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile
PubChem CID138486316
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile
SMILESCn1nccc1-c1cccc(OCCOc2ncc(C#N)cc2F)c1
InChIInChI=1S/C18H15FN4O2/c1-23-17(5-6-22-23)14-3-2-4-15(10-14)24-7-8-25-18-16(19)9-13(11-20)12-21-18/h2-6,9-10,12H,7-8H2,1H3
InChIKeyMKPWTRAKNFFCHZ-UHFFFAOYSA-N
XLogP2.95
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.95
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-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile (CID 138486316) is 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile is Cn1nccc1-c1cccc(OCCOc2ncc(C#N)cc2F)c1.
What is the InChIKey of 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
The InChIKey is MKPWTRAKNFFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-23-17(5-6-22-23)14-3-2-4-15(10-14)24-7-8-25-18-16(19)9-13(11-20)12-21-18/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile?
5-fluoro-6-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile has a molecular weight of 338.34 g/mol, XLogP of 2.95, 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-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 138486316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).