1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol

C10H11FN4O — CID 107048060

IUPAC1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccncc2F)nn1
InChIInChI=1S/C10H11FN4O/c1-15-6-7(13-14-15)4-10(16)8-2-3-12-5-9(8)11/h2-3,5-6,10,16H,4H2,1H3
InChIKeyJKWKPZCTFHUCNT-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.63
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol

1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107048060) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107048060
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccncc2F)nn1
InChIInChI=1S/C10H11FN4O/c1-15-6-7(13-14-15)4-10(16)8-2-3-12-5-9(8)11/h2-3,5-6,10,16H,4H2,1H3
InChIKeyJKWKPZCTFHUCNT-UHFFFAOYSA-N
XLogP0.63
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048204
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047379
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046182
1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
CID 103027695

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107048060) is 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2ccncc2F)nn1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is JKWKPZCTFHUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-15-6-7(13-14-15)4-10(16)8-2-3-12-5-9(8)11/h2-3,5-6,10,16H,4H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 222.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107048060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).