6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid

C9H7NO4 — CID 177483783

IUPAC6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)/C=C\O)n1
InChIInChI=1S/C9H7NO4/c11-5-4-8(12)6-2-1-3-7(10-6)9(13)14/h1-5,11H,(H,13,14)/b5-4-
InChIKeyMMBYJHJQBRUMPP-PLNGDYQASA-N
MW193.16 g/mol
LogP1.03
Rot. Bonds3

About 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid

6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid (PubChem CID 177483783) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
PubChem CID177483783
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)/C=C\O)n1
InChIInChI=1S/C9H7NO4/c11-5-4-8(12)6-2-1-3-7(10-6)9(13)14/h1-5,11H,(H,13,14)/b5-4-
InChIKeyMMBYJHJQBRUMPP-PLNGDYQASA-N
XLogP1.03
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid (CID 177483783) is 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)/C=C\O)n1.
What is the InChIKey of 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid?
The InChIKey is MMBYJHJQBRUMPP-PLNGDYQASA-N. The full InChI is InChI=1S/C9H7NO4/c11-5-4-8(12)6-2-1-3-7(10-6)9(13)14/h1-5,11H,(H,13,14)/b5-4-.
What are the key properties of 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid?
6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 177483783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).