2-(5-fluoro-2-pyridinyl)butan-2-ol

C9H12FNO — CID 83124844

IUPAC2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(C)(O)c1ccc(F)cn1
InChIInChI=1S/C9H12FNO/c1-3-9(2,12)8-5-4-7(10)6-11-8/h4-6,12H,3H2,1-2H3
InChIKeyOKCDCKDYUXOHTB-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.84
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)butan-2-ol

2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 83124844) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID83124844
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(C)(O)c1ccc(F)cn1
InChIInChI=1S/C9H12FNO/c1-3-9(2,12)8-5-4-7(10)6-11-8/h4-6,12H,3H2,1-2H3
InChIKeyOKCDCKDYUXOHTB-UHFFFAOYSA-N
XLogP1.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125413
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
2-(5-fluoro-2-pyridinyl)-1-(1,3-thiazol-5-yl)propan-2-ol
CID 112642112
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
1-(2,3-dichlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 107307629
1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125074

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 83124844) is 2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(C)(O)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is OKCDCKDYUXOHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-9(2,12)8-5-4-7(10)6-11-8/h4-6,12H,3H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)butan-2-ol?
2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 169.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 83124844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).