1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol

C12H14FN3O — CID 112585794

IUPAC1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)c1nccn1C
InChIInChI=1S/C12H14FN3O/c1-3-12(17,11-14-6-7-16(11)2)10-5-4-9(13)8-15-10/h4-8,17H,3H2,1-2H3
InChIKeyUKFRIFCSJPDCHF-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.60
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol

1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 112585794) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID112585794
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)c1nccn1C
InChIInChI=1S/C12H14FN3O/c1-3-12(17,11-14-6-7-16(11)2)10-5-4-9(13)8-15-10/h4-8,17H,3H2,1-2H3
InChIKeyUKFRIFCSJPDCHF-UHFFFAOYSA-N
XLogP1.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
CID 112585862
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
CID 101095926

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol (CID 112585794) is 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol is CCC(O)(c1ccc(F)cn1)c1nccn1C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is UKFRIFCSJPDCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-12(17,11-14-6-7-16(11)2)10-5-4-9(13)8-15-10/h4-8,17H,3H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 1.60, 3 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-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 112585794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).