2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol

C12H9ClN4O3 — CID 3448600

IUPAC2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C=NNc2cccc(Cl)n2)c1
InChIInChI=1S/C12H9ClN4O3/c13-11-2-1-3-12(15-11)16-14-7-8-6-9(17(19)20)4-5-10(8)18/h1-7,18H,(H,15,16)
InChIKeyPHCHSFVLXWJACS-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.79
Rot. Bonds4

About 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol

2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 3448600) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID3448600
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC Name2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C=NNc2cccc(Cl)n2)c1
InChIInChI=1S/C12H9ClN4O3/c13-11-2-1-3-12(15-11)16-14-7-8-6-9(17(19)20)4-5-10(8)18/h1-7,18H,(H,15,16)
InChIKeyPHCHSFVLXWJACS-UHFFFAOYSA-N
XLogP2.79
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135759833
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol (CID 3448600) is 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(C=NNc2cccc(Cl)n2)c1.
What is the InChIKey of 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is PHCHSFVLXWJACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-11-2-1-3-12(15-11)16-14-7-8-6-9(17(19)20)4-5-10(8)18/h1-7,18H,(H,15,16).
What are the key properties of 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol?
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 292.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 3448600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).