2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine

C10H10FN3 — CID 3844333

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine
SMILESCc1cc(C)n(-c2cccc(F)n2)n1
InChIInChI=1S/C10H10FN3/c1-7-6-8(2)14(13-7)10-5-3-4-9(11)12-10/h3-6H,1-2H3
InChIKeyNMKINQOWTXJIJH-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.02
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine

2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine (PubChem CID 3844333) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine
PubChem CID3844333
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine
SMILESCc1cc(C)n(-c2cccc(F)n2)n1
InChIInChI=1S/C10H10FN3/c1-7-6-8(2)14(13-7)10-5-3-4-9(11)12-10/h3-6H,1-2H3
InChIKeyNMKINQOWTXJIJH-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine (CID 3844333) is 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine is Cc1cc(C)n(-c2cccc(F)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine?
The InChIKey is NMKINQOWTXJIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7-6-8(2)14(13-7)10-5-3-4-9(11)12-10/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine?
2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine has a molecular weight of 191.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine is sourced from PubChem (CID 3844333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).