5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine

C14H17FN4O2 — CID 167892540

IUPAC5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
SMILESCc1cc(-c2cn(CC3COC(C)(C)O3)nn2)cnc1F
InChIInChI=1S/C14H17FN4O2/c1-9-4-10(5-16-13(9)15)12-7-19(18-17-12)6-11-8-20-14(2,3)21-11/h4-5,7,11H,6,8H2,1-3H3
InChIKeyGGTKUSKRHYMOGC-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.94
Rot. Bonds3

About 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine

5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine (PubChem CID 167892540) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine.

Molecular Properties

Compound Name5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
PubChem CID167892540
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
SMILESCc1cc(-c2cn(CC3COC(C)(C)O3)nn2)cnc1F
InChIInChI=1S/C14H17FN4O2/c1-9-4-10(5-16-13(9)15)12-7-19(18-17-12)6-11-8-20-14(2,3)21-11/h4-5,7,11H,6,8H2,1-3H3
InChIKeyGGTKUSKRHYMOGC-UHFFFAOYSA-N
XLogP1.94
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
The IUPAC name of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine (CID 167892540) is 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine.
What is the SMILES notation for 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
The canonical SMILES for 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine is Cc1cc(-c2cn(CC3COC(C)(C)O3)nn2)cnc1F.
What is the InChIKey of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
The InChIKey is GGTKUSKRHYMOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-9-4-10(5-16-13(9)15)12-7-19(18-17-12)6-11-8-20-14(2,3)21-11/h4-5,7,11H,6,8H2,1-3H3.
What are the key properties of 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine?
5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine has a molecular weight of 292.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine is sourced from PubChem (CID 167892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).