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

C10H12ClN3O3 — CID 175002865

IUPACethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate
SMILESCCOC(=O)C=NN(Cl)c1cccnc1OC
InChIInChI=1S/C10H12ClN3O3/c1-3-17-9(15)7-13-14(11)8-5-4-6-12-10(8)16-2/h4-7H,3H2,1-2H3
InChIKeyLJWKVBSGJUULQW-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.60
Rot. Bonds5

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

ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate (PubChem CID 175002865) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate
PubChem CID175002865
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Nameethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate
SMILESCCOC(=O)C=NN(Cl)c1cccnc1OC
InChIInChI=1S/C10H12ClN3O3/c1-3-17-9(15)7-13-14(11)8-5-4-6-12-10(8)16-2/h4-7H,3H2,1-2H3
InChIKeyLJWKVBSGJUULQW-UHFFFAOYSA-N
XLogP1.60
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-methoxy-3-pyridinyl)prop-2-ynoate
CID 130543278
N-ethyl-2-methoxy-N-methylpyridin-3-amine
CID 155687981
ethyl (E)-3-(3-methoxy-2-pyridinyl)prop-2-enoate
CID 15110923
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
CID 53185000
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578
ethyl 2-phenyliminoacetate
CID 7095267
diethyl 4-(2-methoxy-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 51058185
2-methoxypyridin-3-ol;hydrate
CID 132769884
N'-(2-methoxy-3-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 138561550
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
ethyl 3-hydroxy-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170923978
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate (CID 175002865) is ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate is CCOC(=O)C=NN(Cl)c1cccnc1OC.
What is the InChIKey of ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate?
The InChIKey is LJWKVBSGJUULQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-3-17-9(15)7-13-14(11)8-5-4-6-12-10(8)16-2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate?
ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate has a molecular weight of 257.68 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[chloro-(2-methoxy-3-pyridinyl)hydrazinylidene]acetate is sourced from PubChem (CID 175002865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).