(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid

C9H9NO4 — CID 135185445

IUPAC(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid
SMILESCOc1nc(/C=C/C(=O)O)ccc1O
InChIInChI=1S/C9H9NO4/c1-14-9-7(11)4-2-6(10-9)3-5-8(12)13/h2-5,11H,1H3,(H,12,13)/b5-3+
InChIKeyZXZDOQXLXFQLFD-HWKANZROSA-N
MW195.17 g/mol
LogP0.89
Rot. Bonds3

About (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid

(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid (PubChem CID 135185445) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid
PubChem CID135185445
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid
SMILESCOc1nc(/C=C/C(=O)O)ccc1O
InChIInChI=1S/C9H9NO4/c1-14-9-7(11)4-2-6(10-9)3-5-8(12)13/h2-5,11H,1H3,(H,12,13)/b5-3+
InChIKeyZXZDOQXLXFQLFD-HWKANZROSA-N
XLogP0.89
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
CID 69417219
3-(5,6-dichloro-2-pyridinyl)prop-2-enoic acid
CID 173482984
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(E)-3-(7-methylquinolin-2-yl)prop-2-enoic acid
CID 68679824
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
(E)-3-(3-fluoro-2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 130506861
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoic acid
CID 688431
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid (CID 135185445) is (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid is COc1nc(/C=C/C(=O)O)ccc1O.
What is the InChIKey of (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid?
The InChIKey is ZXZDOQXLXFQLFD-HWKANZROSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-9-7(11)4-2-6(10-9)3-5-8(12)13/h2-5,11H,1H3,(H,12,13)/b5-3+.
What are the key properties of (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid?
(E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-hydroxy-6-methoxy-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 135185445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).