2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol

C9H12FNO — CID 58189667

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol
SMILESCc1cc(C(C)(C)O)c(F)cn1
InChIInChI=1S/C9H12FNO/c1-6-4-7(9(2,3)12)8(10)5-11-6/h4-5,12H,1-3H3
InChIKeyPDXIPDOJGQCADX-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.76
Rot. Bonds1

About 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol

2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol (PubChem CID 58189667) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol
PubChem CID58189667
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol
SMILESCc1cc(C(C)(C)O)c(F)cn1
InChIInChI=1S/C9H12FNO/c1-6-4-7(9(2,3)12)8(10)5-11-6/h4-5,12H,1-3H3
InChIKeyPDXIPDOJGQCADX-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol (CID 58189667) is 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol is Cc1cc(C(C)(C)O)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol?
The InChIKey is PDXIPDOJGQCADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6-4-7(9(2,3)12)8(10)5-11-6/h4-5,12H,1-3H3.
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol?
2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol has a molecular weight of 169.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 58189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).