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

C17H18IN3O2 — CID 40901437

IUPAC(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCC/C(=N/Nc1ccc(I)cc1)c1ccccn1
InChIInChI=1S/C17H18IN3O2/c18-13-8-10-14(11-9-13)20-21-16(6-1-2-7-17(22)23)15-5-3-4-12-19-15/h3-5,8-12,20H,1-2,6-7H2,(H,22,23)/b21-16-
InChIKeyLGQROMBFUFPFPF-PGMHBOJBSA-N
MW423.25 g/mol
LogP4.15
Rot. Bonds8

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

(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (PubChem CID 40901437) has the molecular formula C17H18IN3O2 and a molecular weight of 423.25 g/mol. Its IUPAC name is (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
PubChem CID40901437
Molecular FormulaC17H18IN3O2
Molecular Weight423.25 g/mol
Exact Mass423.04
IUPAC Name(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCC/C(=N/Nc1ccc(I)cc1)c1ccccn1
InChIInChI=1S/C17H18IN3O2/c18-13-8-10-14(11-9-13)20-21-16(6-1-2-7-17(22)23)15-5-3-4-12-19-15/h3-5,8-12,20H,1-2,6-7H2,(H,22,23)/b21-16-
InChIKeyLGQROMBFUFPFPF-PGMHBOJBSA-N
XLogP4.15
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6198735
(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6837215
(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 7596836
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
CID 6198728
6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 4728718
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
(NZ)-N-(1-pyridin-2-ylundecylidene)hydroxylamine
CID 136790254
N-(1-pyridin-2-ylheptylidene)hydroxylamine
CID 658439
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
CID 4092858
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The IUPAC name of (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (CID 40901437) is (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is O=C(O)CCCC/C(=N/Nc1ccc(I)cc1)c1ccccn1.
What is the InChIKey of (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The InChIKey is LGQROMBFUFPFPF-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H18IN3O2/c18-13-8-10-14(11-9-13)20-21-16(6-1-2-7-17(22)23)15-5-3-4-12-19-15/h3-5,8-12,20H,1-2,6-7H2,(H,22,23)/b21-16-.
What are the key properties of (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid has a molecular weight of 423.25 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 40901437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).