2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C12H10N4O3 — CID 3091226

IUPAC2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccnc1NN=Cc1ccccc1O
InChIInChI=1S/C12H10N4O3/c17-11-6-2-1-4-9(11)8-14-15-12-10(16(18)19)5-3-7-13-12/h1-8,17H,(H,13,15)
InChIKeyXZTYSIYZVXPZPS-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.14
Rot. Bonds4

About 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 3091226) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID3091226
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccnc1NN=Cc1ccccc1O
InChIInChI=1S/C12H10N4O3/c17-11-6-2-1-4-9(11)8-14-15-12-10(16(18)19)5-3-7-13-12/h1-8,17H,(H,13,15)
InChIKeyXZTYSIYZVXPZPS-UHFFFAOYSA-N
XLogP2.14
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126105865
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126100153
2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137076452
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide
CID 6053928
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126107569
4-N-[(E)-(2-nitrophenyl)methylideneamino]-1-N-[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 92534203

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 3091226) is 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cccnc1NN=Cc1ccccc1O.
What is the InChIKey of 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is XZTYSIYZVXPZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11-6-2-1-4-9(11)8-14-15-12-10(16(18)19)5-3-7-13-12/h1-8,17H,(H,13,15).
What are the key properties of 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 258.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3091226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).