ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate

C10H11NO3 — CID 67270386

IUPACethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(O)cn1
InChIInChI=1S/C10H11NO3/c1-2-14-10(13)6-4-8-3-5-9(12)7-11-8/h3-7,12H,2H2,1H3
InChIKeyZCKFAUNOEUXRNR-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.36
Rot. Bonds3

About ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate

ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate (PubChem CID 67270386) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
PubChem CID67270386
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(O)cn1
InChIInChI=1S/C10H11NO3/c1-2-14-10(13)6-4-8-3-5-9(12)7-11-8/h3-7,12H,2H2,1H3
InChIKeyZCKFAUNOEUXRNR-UHFFFAOYSA-N
XLogP1.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
CID 169480006
ethyl (E)-3-(5-bromopyrazin-2-yl)prop-2-enoate
CID 53259408
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
CID 169479999
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-(1-methyltriazol-4-yl)prop-2-enoate
CID 123774652
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
3-[6-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]prop-2-enoic acid
CID 67083970
ethyl 3-(6-amino-2-pyridinyl)prop-2-enoate
CID 169480000

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate (CID 67270386) is ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(O)cn1.
What is the InChIKey of ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate?
The InChIKey is ZCKFAUNOEUXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-10(13)6-4-8-3-5-9(12)7-11-8/h3-7,12H,2H2,1H3.
What are the key properties of ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate?
ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 67270386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).