2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C14H14N4O5 — CID 135642811

IUPAC2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1O
InChIInChI=1S/C14H14N4O5/c1-22-11-5-9(6-12(23-2)14(11)19)7-16-17-13-4-3-10(8-15-13)18(20)21/h3-8,19H,1-2H3,(H,15,17)/b16-7+
InChIKeyNDZLCFZIVTYPPG-FRKPEAEDSA-N
MW318.29 g/mol
LogP2.16
Rot. Bonds6

About 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 135642811) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID135642811
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1O
InChIInChI=1S/C14H14N4O5/c1-22-11-5-9(6-12(23-2)14(11)19)7-16-17-13-4-3-10(8-15-13)18(20)21/h3-8,19H,1-2H3,(H,15,17)/b16-7+
InChIKeyNDZLCFZIVTYPPG-FRKPEAEDSA-N
XLogP2.16
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 135642811) is 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is NDZLCFZIVTYPPG-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H14N4O5/c1-22-11-5-9(6-12(23-2)14(11)19)7-16-17-13-4-3-10(8-15-13)18(20)21/h3-8,19H,1-2H3,(H,15,17)/b16-7+.
What are the key properties of 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 318.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135642811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).