1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol

C11H12FN3O — CID 83125010

IUPAC1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(C)(O)c2ccc(F)cn2)cn1
InChIInChI=1S/C11H12FN3O/c1-11(16,8-5-14-15(2)7-8)10-4-3-9(12)6-13-10/h3-7,16H,1-2H3
InChIKeyANGLHCHQTJBBIN-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.21
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol

1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 83125010) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID83125010
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(C)(O)c2ccc(F)cn2)cn1
InChIInChI=1S/C11H12FN3O/c1-11(16,8-5-14-15(2)7-8)10-4-3-9(12)6-13-10/h3-7,16H,1-2H3
InChIKeyANGLHCHQTJBBIN-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 83125010) is 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(C)(O)c2ccc(F)cn2)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is ANGLHCHQTJBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-11(16,8-5-14-15(2)7-8)10-4-3-9(12)6-13-10/h3-7,16H,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 83125010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).