5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol

C14H12N2O3 — CID 69157141

IUPAC5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol
SMILESCc1cccc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)n1
InChIInChI=1S/C14H12N2O3/c1-10-3-2-4-12(15-10)7-5-11-6-8-13(16(18)19)14(17)9-11/h2-9,17H,1H3/b7-5-
InChIKeyWKDVOZQBUXLNRI-ALCCZGGFSA-N
MW256.26 g/mol
LogP3.17
Rot. Bonds3

About 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol

5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol (PubChem CID 69157141) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol.

Molecular Properties

Compound Name5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol
PubChem CID69157141
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol
SMILESCc1cccc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)n1
InChIInChI=1S/C14H12N2O3/c1-10-3-2-4-12(15-10)7-5-11-6-8-13(16(18)19)14(17)9-11/h2-9,17H,1H3/b7-5-
InChIKeyWKDVOZQBUXLNRI-ALCCZGGFSA-N
XLogP3.17
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol?
The IUPAC name of 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol (CID 69157141) is 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol.
What is the SMILES notation for 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol?
The canonical SMILES for 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol is Cc1cccc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)n1.
What is the InChIKey of 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol?
The InChIKey is WKDVOZQBUXLNRI-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-3-2-4-12(15-10)7-5-11-6-8-13(16(18)19)14(17)9-11/h2-9,17H,1H3/b7-5-.
What are the key properties of 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol?
5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol has a molecular weight of 256.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol is sourced from PubChem (CID 69157141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).