ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate

C11H13NO4 — CID 67835747

IUPACethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate
SMILESCCOC(=O)C(=CO)Oc1ccc(C)nc1
InChIInChI=1S/C11H13NO4/c1-3-15-11(14)10(7-13)16-9-5-4-8(2)12-6-9/h4-7,13H,3H2,1-2H3
InChIKeyLRMPWIMXQIFBJN-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.73
Rot. Bonds4

About ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate

ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate (PubChem CID 67835747) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate
PubChem CID67835747
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate
SMILESCCOC(=O)C(=CO)Oc1ccc(C)nc1
InChIInChI=1S/C11H13NO4/c1-3-15-11(14)10(7-13)16-9-5-4-8(2)12-6-9/h4-7,13H,3H2,1-2H3
InChIKeyLRMPWIMXQIFBJN-UHFFFAOYSA-N
XLogP1.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Pyridyl acetate
CID 87289
2-(Pyridin-3-yloxy)acetic acid
CID 3159630
n-Methyl-1-[2-(3-pyridyloxy)ethyl]cyclopropanamine fumarate
CID 9944441
Dimethyl-[2-(6-methyl-pyridin-3-yloxy)-ethyl]-amine
CID 44340957
N-methyl-2-[(6-methyl-3-pyridinyl)oxy]ethanamine
CID 44341059
5-Butoxypicolinic acid
CID 173872
5-Methoxy-2-methylpyridine
CID 13358777
2-(Pyridin-2-yloxy)propanoic acid
CID 20311069
2-(Acetoxymethyl)-3-acetoxypyridine
CID 256400
N,N-Diethyl-2-(2-ethyl-6-methyl-pyridin-3-yloxy)-acetamide
CID 9549514
N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid
CID 46877602
(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridyl]-2-hydroxy-prop-2-enoic acid
CID 135411108

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate?
The IUPAC name of ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate (CID 67835747) is ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate?
The canonical SMILES for ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate is CCOC(=O)C(=CO)Oc1ccc(C)nc1.
What is the InChIKey of ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate?
The InChIKey is LRMPWIMXQIFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-15-11(14)10(7-13)16-9-5-4-8(2)12-6-9/h4-7,13H,3H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate?
ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate is sourced from PubChem (CID 67835747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).