methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate

C9H10FNO3 — CID 156875680

IUPACmethyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)c1ncccc1F
InChIInChI=1S/C9H10FNO3/c1-14-9(13)6(5-12)8-7(10)3-2-4-11-8/h2-4,6,12H,5H2,1H3
InChIKeyDZFFWTHYEIFIDF-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.47
Rot. Bonds3

About methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate

methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate (PubChem CID 156875680) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
PubChem CID156875680
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namemethyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)c1ncccc1F
InChIInChI=1S/C9H10FNO3/c1-14-9(13)6(5-12)8-7(10)3-2-4-11-8/h2-4,6,12H,5H2,1H3
InChIKeyDZFFWTHYEIFIDF-UHFFFAOYSA-N
XLogP0.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
CID 104571788
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 155255146
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
CID 176652584
[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid
CID 174048857
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525
methyl 2-[4-(difluoromethyl)phenyl]-3-hydroxypropanoate
CID 168947878
4-amino-3-(3-fluoro-2-pyridinyl)butanoic acid
CID 84668127
dimethyl 2-[3-(difluoromethoxy)-2-pyridinyl]propanedioate
CID 155210458
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate (CID 156875680) is methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate is COC(=O)C(CO)c1ncccc1F.
What is the InChIKey of methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate?
The InChIKey is DZFFWTHYEIFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-14-9(13)6(5-12)8-7(10)3-2-4-11-8/h2-4,6,12H,5H2,1H3.
What are the key properties of methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate?
methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate has a molecular weight of 199.18 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate is sourced from PubChem (CID 156875680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).