4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol

C13H10N2O3 — CID 137308663

IUPAC4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)nc1
InChIInChI=1S/C13H10N2O3/c16-13-7-2-10(3-8-13)1-4-11-5-6-12(9-14-11)15(17)18/h1-9,16H/b4-1+
InChIKeyRUDOFTPFNCTQTJ-DAFODLJHSA-N
MW242.23 g/mol
LogP2.87
Rot. Bonds3

About 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol

4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol (PubChem CID 137308663) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
PubChem CID137308663
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)nc1
InChIInChI=1S/C13H10N2O3/c16-13-7-2-10(3-8-13)1-4-11-5-6-12(9-14-11)15(17)18/h1-9,16H/b4-1+
InChIKeyRUDOFTPFNCTQTJ-DAFODLJHSA-N
XLogP2.87
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.87
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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Related Compounds

N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
CID 127265495
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-3-ol
CID 135503118
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
4-nitrophenol
CID 88714583
2-[3-[2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 126809089
4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine
CID 127265068
4-nitrophenol;phosphane
CID 157153413
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566
5-[2-(4-hydroxyphenyl)ethenyl]-2,4,6-trinitrobenzene-1,3-diol
CID 172676316
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-nitrobenzoic acid
CID 134974450

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol (CID 137308663) is 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol is O=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)nc1.
What is the InChIKey of 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol?
The InChIKey is RUDOFTPFNCTQTJ-DAFODLJHSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13-7-2-10(3-8-13)1-4-11-5-6-12(9-14-11)15(17)18/h1-9,16H/b4-1+.
What are the key properties of 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol?
4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol has a molecular weight of 242.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol is sourced from PubChem (CID 137308663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).