ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate

C11H13NO3 — CID 170795623

IUPACethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ncccc1O
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)7-3-5-9-10(13)6-4-8-12-9/h3-6,8,13H,2,7H2,1H3
InChIKeyBGVRTLQDZFDNHU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.75
Rot. Bonds4

About ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate

ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate (PubChem CID 170795623) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
PubChem CID170795623
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ncccc1O
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)7-3-5-9-10(13)6-4-8-12-9/h3-6,8,13H,2,7H2,1H3
InChIKeyBGVRTLQDZFDNHU-UHFFFAOYSA-N
XLogP1.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-bromo-3-pyridinyl)but-3-enoate
CID 170797160
ethyl 4-isoquinolin-1-ylbut-3-enoate
CID 170796327
ethyl 4-(2-fluoro-3-pyridinyl)but-3-enoate
CID 170795596
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 4-(3-amino-2-pyridinyl)but-3-enoate
CID 170500334
ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
CID 170795786
2-(3-aminoprop-1-enyl)pyridin-3-ol
CID 169463141
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349
2-(3-hydroxyprop-1-enyl)pyridin-3-ol
CID 169452896
N-[3-(3-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464929
ethyl 4-(6-amino-2-pyridinyl)but-3-enoate
CID 170795572

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate?
The IUPAC name of ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate (CID 170795623) is ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate.
What is the SMILES notation for ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate?
The canonical SMILES for ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate is CCOC(=O)CC=Cc1ncccc1O.
What is the InChIKey of ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate?
The InChIKey is BGVRTLQDZFDNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)7-3-5-9-10(13)6-4-8-12-9/h3-6,8,13H,2,7H2,1H3.
What are the key properties of ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate?
ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate has a molecular weight of 207.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170795623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).