1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one

C17H19Cl2N3O2 — CID 175762742

IUPAC1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one
SMILESCc1cc(Oc2c(Cl)cc(NN)cc2Cl)cn(C2CCCC2)c1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-10-6-13(9-22(17(10)23)12-4-2-3-5-12)24-16-14(18)7-11(21-20)8-15(16)19/h6-9,12,21H,2-5,20H2,1H3
InChIKeyGYPWCMYMUHIQBD-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.66
Rot. Bonds4

About 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one

1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one (PubChem CID 175762742) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one
PubChem CID175762742
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one
SMILESCc1cc(Oc2c(Cl)cc(NN)cc2Cl)cn(C2CCCC2)c1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-10-6-13(9-22(17(10)23)12-4-2-3-5-12)24-16-14(18)7-11(21-20)8-15(16)19/h6-9,12,21H,2-5,20H2,1H3
InChIKeyGYPWCMYMUHIQBD-UHFFFAOYSA-N
XLogP4.66
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one?
The IUPAC name of 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one (CID 175762742) is 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one?
The canonical SMILES for 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one is Cc1cc(Oc2c(Cl)cc(NN)cc2Cl)cn(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one?
The InChIKey is GYPWCMYMUHIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-10-6-13(9-22(17(10)23)12-4-2-3-5-12)24-16-14(18)7-11(21-20)8-15(16)19/h6-9,12,21H,2-5,20H2,1H3.
What are the key properties of 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one?
1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one has a molecular weight of 368.26 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one is sourced from PubChem (CID 175762742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).