ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate

C10H12ClN3O3 — CID 53485812

IUPACethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N/Nc1ccc(OC)nc1
InChIInChI=1S/C10H12ClN3O3/c1-3-17-10(15)9(11)14-13-7-4-5-8(16-2)12-6-7/h4-6,13H,3H2,1-2H3/b14-9-
InChIKeyZUZXRIHQZQQHPS-ZROIWOOFSA-N
MW257.68 g/mol
LogP1.62
Rot. Bonds5

About ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate

ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate (PubChem CID 53485812) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate
PubChem CID53485812
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Nameethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N/Nc1ccc(OC)nc1
InChIInChI=1S/C10H12ClN3O3/c1-3-17-10(15)9(11)14-13-7-4-5-8(16-2)12-6-7/h4-6,13H,3H2,1-2H3/b14-9-
InChIKeyZUZXRIHQZQQHPS-ZROIWOOFSA-N
XLogP1.62
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate (CID 53485812) is ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate is CCOC(=O)/C(Cl)=N/Nc1ccc(OC)nc1.
What is the InChIKey of ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate?
The InChIKey is ZUZXRIHQZQQHPS-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-3-17-10(15)9(11)14-13-7-4-5-8(16-2)12-6-7/h4-6,13H,3H2,1-2H3/b14-9-.
What are the key properties of ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate?
ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate has a molecular weight of 257.68 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate is sourced from PubChem (CID 53485812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).