2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate

C14H10N3O5- — CID 135582503

IUPAC2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1
InChIInChI=1S/C14H11N3O5/c18-12-3-1-2-9(7-12)14(20)16-15-8-10-6-11(17(21)22)4-5-13(10)19/h1-8,18-19H,(H,16,20)/p-1/b15-8+
InChIKeySKBITAWAKZVPSH-OVCLIPMQSA-M
MW300.25 g/mol
LogP1.14
Rot. Bonds4

About 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate

2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate (PubChem CID 135582503) has the molecular formula C14H10N3O5- and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
PubChem CID135582503
Molecular FormulaC14H10N3O5-
Molecular Weight300.25 g/mol
Exact Mass300.06
IUPAC Name2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1
InChIInChI=1S/C14H11N3O5/c18-12-3-1-2-9(7-12)14(20)16-15-8-10-6-11(17(21)22)4-5-13(10)19/h1-8,18-19H,(H,16,20)/p-1/b15-8+
InChIKeySKBITAWAKZVPSH-OVCLIPMQSA-M
XLogP1.14
TPSA127.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 6887735
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate
CID 6870682
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
2-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-4-nitrophenolate
CID 7930371
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137122752
3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
CID 869572
2-[(Z)-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7046258
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The IUPAC name of 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate (CID 135582503) is 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The canonical SMILES for 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1.
What is the InChIKey of 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The InChIKey is SKBITAWAKZVPSH-OVCLIPMQSA-M. The full InChI is InChI=1S/C14H11N3O5/c18-12-3-1-2-9(7-12)14(20)16-15-8-10-6-11(17(21)22)4-5-13(10)19/h1-8,18-19H,(H,16,20)/p-1/b15-8+.
What are the key properties of 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate has a molecular weight of 300.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is sourced from PubChem (CID 135582503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).