3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine

C15H13FN4O — CID 166328960

IUPAC3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine
SMILESCCOc1cccc(-c2cn(-c3cccnc3F)nn2)c1
InChIInChI=1S/C15H13FN4O/c1-2-21-12-6-3-5-11(9-12)13-10-20(19-18-13)14-7-4-8-17-15(14)16/h3-10H,2H2,1H3
InChIKeyKYUWCZHJGPQTOZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.87
Rot. Bonds4

About 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine

3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine (PubChem CID 166328960) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine.

Molecular Properties

Compound Name3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine
PubChem CID166328960
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine
SMILESCCOc1cccc(-c2cn(-c3cccnc3F)nn2)c1
InChIInChI=1S/C15H13FN4O/c1-2-21-12-6-3-5-11(9-12)13-10-20(19-18-13)14-7-4-8-17-15(14)16/h3-10H,2H2,1H3
InChIKeyKYUWCZHJGPQTOZ-UHFFFAOYSA-N
XLogP2.87
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylphenyl)-4-(3-prop-2-enoxyphenyl)triazole
CID 20977591
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348
4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole
CID 166349386
4-(bromomethyl)-1-(3-ethoxyphenyl)triazole
CID 62399472
2-[3-(3-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328958
3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-(3-ethoxyphenyl)pyrazin-2-amine
CID 24763363
2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540746
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
2-chloro-5-(3-ethoxyphenyl)pyrazine
CID 56721049
1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
CID 174113162
4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
CID 20977557
6-(3-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453002

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine?
The IUPAC name of 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine (CID 166328960) is 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine.
What is the SMILES notation for 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine?
The canonical SMILES for 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine is CCOc1cccc(-c2cn(-c3cccnc3F)nn2)c1.
What is the InChIKey of 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine?
The InChIKey is KYUWCZHJGPQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-2-21-12-6-3-5-11(9-12)13-10-20(19-18-13)14-7-4-8-17-15(14)16/h3-10H,2H2,1H3.
What are the key properties of 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine?
3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine has a molecular weight of 284.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethoxyphenyl)triazol-1-yl]-2-fluoropyridine is sourced from PubChem (CID 166328960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).