5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine

C12H14FN3 — CID 118201025

IUPAC5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine
SMILESCC(C)Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H14FN3/c1-9(2)8-16-6-5-12(15-16)11-4-3-10(13)7-14-11/h3-7,9H,8H2,1-2H3
InChIKeyLIVKUCRRDSBALR-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.74
Rot. Bonds3

About 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine

5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine (PubChem CID 118201025) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine
PubChem CID118201025
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine
SMILESCC(C)Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H14FN3/c1-9(2)8-16-6-5-12(15-16)11-4-3-10(13)7-14-11/h3-7,9H,8H2,1-2H3
InChIKeyLIVKUCRRDSBALR-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine (CID 118201025) is 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine is CC(C)Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine?
The InChIKey is LIVKUCRRDSBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(2)8-16-6-5-12(15-16)11-4-3-10(13)7-14-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine?
5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine has a molecular weight of 219.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 118201025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).