(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid

C10H11NO3 — CID 67696229

IUPAC(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
SMILESCCOc1ccc(/C=C/C(=O)O)cn1
InChIInChI=1S/C10H11NO3/c1-2-14-9-5-3-8(7-11-9)4-6-10(12)13/h3-7H,2H2,1H3,(H,12,13)/b6-4+
InChIKeyHHUZKOWAWVCZIO-GQCTYLIASA-N
MW193.20 g/mol
LogP1.58
Rot. Bonds4

About (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid

(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid (PubChem CID 67696229) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
PubChem CID67696229
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
SMILESCCOc1ccc(/C=C/C(=O)O)cn1
InChIInChI=1S/C10H11NO3/c1-2-14-9-5-3-8(7-11-9)4-6-10(12)13/h3-7H,2H2,1H3,(H,12,13)/b6-4+
InChIKeyHHUZKOWAWVCZIO-GQCTYLIASA-N
XLogP1.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxypyrimidin-5-yl)prop-2-enoic acid
CID 169460467
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 21287966
(E)-3-[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]prop-2-enoic acid
CID 116802424
(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
(E)-3-[6-(3,4-dimethylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632890
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
3-(4-ethoxy-3-iodophenyl)prop-2-enoic acid
CID 53401759
3-(6-acetyl-3-pyridinyl)prop-2-enoic acid
CID 169460546
3-(6-tert-butyl-3-pyridinyl)prop-2-enoic acid
CID 53416025
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 2783389
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid (CID 67696229) is (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid is CCOc1ccc(/C=C/C(=O)O)cn1.
What is the InChIKey of (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid?
The InChIKey is HHUZKOWAWVCZIO-GQCTYLIASA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-9-5-3-8(7-11-9)4-6-10(12)13/h3-7H,2H2,1H3,(H,12,13)/b6-4+.
What are the key properties of (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid?
(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 67696229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).