2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate

C14H11N4O4- — CID 7334477

IUPAC2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
SMILESCc1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2[O-])cn1
InChIInChI=1S/C14H12N4O4/c1-9-5-6-11(7-15-9)14(20)17-16-8-10-3-2-4-12(13(10)19)18(21)22/h2-8,19H,1H3,(H,17,20)/p-1
InChIKeyCDNJVKVBQFFOAC-UHFFFAOYSA-M
MW299.27 g/mol
LogP1.14
Rot. Bonds4

About 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate

2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate (PubChem CID 7334477) has the molecular formula C14H11N4O4- and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate.

Molecular Properties

Compound Name2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
PubChem CID7334477
Molecular FormulaC14H11N4O4-
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC Name2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
SMILESCc1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2[O-])cn1
InChIInChI=1S/C14H12N4O4/c1-9-5-6-11(7-15-9)14(20)17-16-8-10-3-2-4-12(13(10)19)18(21)22/h2-8,19H,1H3,(H,17,20)/p-1
InChIKeyCDNJVKVBQFFOAC-UHFFFAOYSA-M
XLogP1.14
TPSA120.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334500
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3274158
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3616787
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1237230
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 137122813

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate?
The IUPAC name of 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate (CID 7334477) is 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate.
What is the SMILES notation for 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate?
The canonical SMILES for 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate is Cc1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2[O-])cn1.
What is the InChIKey of 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate?
The InChIKey is CDNJVKVBQFFOAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N4O4/c1-9-5-6-11(7-15-9)14(20)17-16-8-10-3-2-4-12(13(10)19)18(21)22/h2-8,19H,1H3,(H,17,20)/p-1.
What are the key properties of 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate?
2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate has a molecular weight of 299.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate is sourced from PubChem (CID 7334477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).