(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one

C14H10N2O4 — CID 92965064

IUPAC(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccn1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10N2O4/c17-13(6-4-10-3-1-2-8-15-10)12-9-11(16(19)20)5-7-14(12)18/h1-9,18H/b6-4-
InChIKeyWOWYCTBRSINJDW-XQRVVYSFSA-N
MW270.24 g/mol
LogP2.59
Rot. Bonds4

About (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one

(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 92965064) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
PubChem CID92965064
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccn1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10N2O4/c17-13(6-4-10-3-1-2-8-15-10)12-9-11(16(19)20)5-7-14(12)18/h1-9,18H/b6-4-
InChIKeyWOWYCTBRSINJDW-XQRVVYSFSA-N
XLogP2.59
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one (CID 92965064) is (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one is O=C(/C=C\c1ccccn1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is WOWYCTBRSINJDW-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-13(6-4-10-3-1-2-8-15-10)12-9-11(16(19)20)5-7-14(12)18/h1-9,18H/b6-4-.
What are the key properties of (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one?
(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 270.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 92965064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).