2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C12H9N5O5 — CID 135458967

IUPAC2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccccn2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9N5O5/c18-12-8(7-14-15-11-3-1-2-4-13-11)5-9(16(19)20)6-10(12)17(21)22/h1-7,18H,(H,13,15)/b14-7+
InChIKeyMRMSITJFCDXBLY-VGOFMYFVSA-N
MW303.23 g/mol
LogP2.05
Rot. Bonds5

About 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135458967) has the molecular formula C12H9N5O5 and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135458967
Molecular FormulaC12H9N5O5
Molecular Weight303.23 g/mol
Exact Mass303.06
IUPAC Name2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccccn2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9N5O5/c18-12-8(7-14-15-11-3-1-2-4-13-11)5-9(16(19)20)6-10(12)17(21)22/h1-7,18H,(H,13,15)/b14-7+
InChIKeyMRMSITJFCDXBLY-VGOFMYFVSA-N
XLogP2.05
TPSA143.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Related Compounds

2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 3097180
2-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135833934
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
CID 84888865
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
1-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenylurea
CID 135403951
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135472466
N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
CID 110842592
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dinitrophenol
CID 71683397
(2S)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 137206870

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135458967) is 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cc(/C=N/Nc2ccccn2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is MRMSITJFCDXBLY-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H9N5O5/c18-12-8(7-14-15-11-3-1-2-4-13-11)5-9(16(19)20)6-10(12)17(21)22/h1-7,18H,(H,13,15)/b14-7+.
What are the key properties of 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 303.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135458967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).