(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

C17H18FN3O2 — CID 7596836

IUPAC(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCC/C(=N\Nc1ccccc1F)c1ccccn1
InChIInChI=1S/C17H18FN3O2/c18-13-7-1-2-8-14(13)20-21-16(10-3-4-11-17(22)23)15-9-5-6-12-19-15/h1-2,5-9,12,20H,3-4,10-11H2,(H,22,23)/b21-16+
InChIKeyYGKOPZGJYWFPRC-LTGZKZEYSA-N
MW315.35 g/mol
LogP3.68
Rot. Bonds8

About (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (PubChem CID 7596836) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
PubChem CID7596836
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCC/C(=N\Nc1ccccc1F)c1ccccn1
InChIInChI=1S/C17H18FN3O2/c18-13-7-1-2-8-14(13)20-21-16(10-3-4-11-17(22)23)15-9-5-6-12-19-15/h1-2,5-9,12,20H,3-4,10-11H2,(H,22,23)/b21-16+
InChIKeyYGKOPZGJYWFPRC-LTGZKZEYSA-N
XLogP3.68
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 4728718
(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-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6837215
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
CID 6198728
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(4-amino-1-pyridin-2-ylbutylidene)hydroxylamine;hydrochloride
CID 2771629
1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
CID 90354643
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The IUPAC name of (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (CID 7596836) is (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is O=C(O)CCCC/C(=N\Nc1ccccc1F)c1ccccn1.
What is the InChIKey of (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The InChIKey is YGKOPZGJYWFPRC-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-7-1-2-8-14(13)20-21-16(10-3-4-11-17(22)23)15-9-5-6-12-19-15/h1-2,5-9,12,20H,3-4,10-11H2,(H,22,23)/b21-16+.
What are the key properties of (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid has a molecular weight of 315.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 7596836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).