2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C14H14N4O4 — CID 135538376

IUPAC2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1O
InChIInChI=1S/C14H14N4O4/c1-2-22-13-7-10(3-5-12(13)19)8-16-17-14-6-4-11(9-15-14)18(20)21/h3-9,19H,2H2,1H3,(H,15,17)/b16-8-
InChIKeyGTXRHJCARPJGTL-PXNMLYILSA-N
MW302.29 g/mol
LogP2.54
Rot. Bonds6

About 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 135538376) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID135538376
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1O
InChIInChI=1S/C14H14N4O4/c1-2-22-13-7-10(3-5-12(13)19)8-16-17-14-6-4-11(9-15-14)18(20)21/h3-9,19H,2H2,1H3,(H,15,17)/b16-8-
InChIKeyGTXRHJCARPJGTL-PXNMLYILSA-N
XLogP2.54
TPSA109.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 135538376) is 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is GTXRHJCARPJGTL-PXNMLYILSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-2-22-13-7-10(3-5-12(13)19)8-16-17-14-6-4-11(9-15-14)18(20)21/h3-9,19H,2H2,1H3,(H,15,17)/b16-8-.
What are the key properties of 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 302.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135538376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).