(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

C17H18N4O4 — CID 6837215

IUPAC(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccn1
InChIInChI=1S/C17H18N4O4/c22-17(23)7-2-1-6-16(15-5-3-4-12-18-15)20-19-13-8-10-14(11-9-13)21(24)25/h3-5,8-12,19H,1-2,6-7H2,(H,22,23)/b20-16-
InChIKeyKLOPOQSOKOWVIF-SILNSSARSA-N
MW342.36 g/mol
LogP3.45
Rot. Bonds9

About (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (PubChem CID 6837215) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
PubChem CID6837215
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccn1
InChIInChI=1S/C17H18N4O4/c22-17(23)7-2-1-6-16(15-5-3-4-12-18-15)20-19-13-8-10-14(11-9-13)21(24)25/h3-5,8-12,19H,1-2,6-7H2,(H,22,23)/b20-16-
InChIKeyKLOPOQSOKOWVIF-SILNSSARSA-N
XLogP3.45
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 40901437
(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6198735
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
CID 6198728
N-[(E)-(5-chloro-1-phenylpentylidene)amino]-4-nitroaniline
CID 6378428
(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 7596836
6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 4728718
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
5-(4-nitroanilino)pentanoic acid
CID 28972234
6-(4-nitroanilino)hexanoic acid
CID 15992782
2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 4522420
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The IUPAC name of (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (CID 6837215) is (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is O=C(O)CCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccn1.
What is the InChIKey of (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The InChIKey is KLOPOQSOKOWVIF-SILNSSARSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-17(23)7-2-1-6-16(15-5-3-4-12-18-15)20-19-13-8-10-14(11-9-13)21(24)25/h3-5,8-12,19H,1-2,6-7H2,(H,22,23)/b20-16-.
What are the key properties of (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid has a molecular weight of 342.36 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 6837215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).