methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate

C10H12FNO3 — CID 83128638

IUPACmethyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
SMILESCOC(=O)C(O)C(C)c1ccc(F)cn1
InChIInChI=1S/C10H12FNO3/c1-6(9(13)10(14)15-2)8-4-3-7(11)5-12-8/h3-6,9,13H,1-2H3
InChIKeyPBCBTXXUBFZCAB-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.86
Rot. Bonds3

About methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate

methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate (PubChem CID 83128638) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
PubChem CID83128638
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
SMILESCOC(=O)C(O)C(C)c1ccc(F)cn1
InChIInChI=1S/C10H12FNO3/c1-6(9(13)10(14)15-2)8-4-3-7(11)5-12-8/h3-6,9,13H,1-2H3
InChIKeyPBCBTXXUBFZCAB-UHFFFAOYSA-N
XLogP0.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
2-(5-fluoro-2-pyridinyl)-4-methylpentan-3-ol
CID 83128846
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
CID 83119608
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
CID 167014812
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171864461
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate?
The IUPAC name of methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate (CID 83128638) is methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate.
What is the SMILES notation for methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate?
The canonical SMILES for methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate is COC(=O)C(O)C(C)c1ccc(F)cn1.
What is the InChIKey of methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate?
The InChIKey is PBCBTXXUBFZCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(9(13)10(14)15-2)8-4-3-7(11)5-12-8/h3-6,9,13H,1-2H3.
What are the key properties of methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate?
methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate has a molecular weight of 213.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate is sourced from PubChem (CID 83128638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).