1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol

C11H14FNO — CID 114473963

IUPAC1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(F)cn1
InChIInChI=1S/C11H14FNO/c1-8(2)3-6-11(14)10-5-4-9(12)7-13-10/h4-5,7,11,14H,1,3,6H2,2H3
InChIKeyYRGKTORPHSBMDV-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.61
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol

1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol (PubChem CID 114473963) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
PubChem CID114473963
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(F)cn1
InChIInChI=1S/C11H14FNO/c1-8(2)3-6-11(14)10-5-4-9(12)7-13-10/h4-5,7,11,14H,1,3,6H2,2H3
InChIKeyYRGKTORPHSBMDV-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
(1R)-2-amino-1-(5-fluoro-2-pyridinyl)ethanol
CID 83128440
2-(tert-butylamino)-1-(5-fluoro-2-pyridinyl)ethanol
CID 138472981
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl] methanesulfonate
CID 89392644
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128589
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
CID 114473996
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol (CID 114473963) is 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol?
The InChIKey is YRGKTORPHSBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(2)3-6-11(14)10-5-4-9(12)7-13-10/h4-5,7,11,14H,1,3,6H2,2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol?
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol has a molecular weight of 195.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114473963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).