ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate

C10H13FN2O4 — CID 171896822

IUPACethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cnc(F)nc1
InChIInChI=1S/C10H13FN2O4/c1-2-17-8(15)3-7(14)9(16)6-4-12-10(11)13-5-6/h4-5,7,9,14,16H,2-3H2,1H3
InChIKeyKRFYYKHAGXBYMH-UHFFFAOYSA-N
MW244.22 g/mol
LogP-0.04
Rot. Bonds5

About ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate

ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate (PubChem CID 171896822) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
PubChem CID171896822
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Nameethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cnc(F)nc1
InChIInChI=1S/C10H13FN2O4/c1-2-17-8(15)3-7(14)9(16)6-4-12-10(11)13-5-6/h4-5,7,9,14,16H,2-3H2,1H3
InChIKeyKRFYYKHAGXBYMH-UHFFFAOYSA-N
XLogP-0.04
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896832
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963
ethyl 3,4-dihydroxy-4-(1,2-oxazol-4-yl)butanoate
CID 171896770
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897191
ethyl 3,4-dihydroxy-4-(5-methyl-3-pyridinyl)butanoate
CID 171896867
ethyl 3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butanoate
CID 171896844
ethyl 3,4-dihydroxy-4-(1-methylpyrazol-4-yl)butanoate
CID 171896783
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897496
ethyl 4-(6-chloro-5-cyano-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897347
ethyl 3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)butanoate
CID 171897537

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate (CID 171896822) is ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1cnc(F)nc1.
What is the InChIKey of ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate?
The InChIKey is KRFYYKHAGXBYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-2-17-8(15)3-7(14)9(16)6-4-12-10(11)13-5-6/h4-5,7,9,14,16H,2-3H2,1H3.
What are the key properties of ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate?
ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate has a molecular weight of 244.22 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171896822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).