6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

C17H17Cl2N3O2 — CID 4728718

IUPAC6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCCC(=NNc1cc(Cl)ccc1Cl)c1ccccn1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-8-9-13(19)16(11-12)22-21-15(6-1-2-7-17(23)24)14-5-3-4-10-20-14/h3-5,8-11,22H,1-2,6-7H2,(H,23,24)
InChIKeyOCFCOIVVHSSHIK-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.85
Rot. Bonds8

About 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (PubChem CID 4728718) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
PubChem CID4728718
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESO=C(O)CCCCC(=NNc1cc(Cl)ccc1Cl)c1ccccn1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-8-9-13(19)16(11-12)22-21-15(6-1-2-7-17(23)24)14-5-3-4-10-20-14/h3-5,8-11,22H,1-2,6-7H2,(H,23,24)
InChIKeyOCFCOIVVHSSHIK-UHFFFAOYSA-N
XLogP4.85
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.85
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

(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 7596836
(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
4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
CID 8973589
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
CID 6198728
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
6-[(2,5-dichlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447201
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The IUPAC name of 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (CID 4728718) is 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is O=C(O)CCCCC(=NNc1cc(Cl)ccc1Cl)c1ccccn1.
What is the InChIKey of 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The InChIKey is OCFCOIVVHSSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-8-9-13(19)16(11-12)22-21-15(6-1-2-7-17(23)24)14-5-3-4-10-20-14/h3-5,8-11,22H,1-2,6-7H2,(H,23,24).
What are the key properties of 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid has a molecular weight of 366.25 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 4728718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).