ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate

C11H12ClN3O2 — CID 19086725

IUPACethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(Cl)c2ccc(N)cc21
InChIInChI=1S/C11H12ClN3O2/c1-2-17-10(16)6-15-9-5-7(13)3-4-8(9)11(12)14-15/h3-5H,2,6,13H2,1H3
InChIKeyQNXJDVLAVIZPQK-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.84
Rot. Bonds3

About ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate

ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate (PubChem CID 19086725) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
PubChem CID19086725
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nameethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(Cl)c2ccc(N)cc21
InChIInChI=1S/C11H12ClN3O2/c1-2-17-10(16)6-15-9-5-7(13)3-4-8(9)11(12)14-15/h3-5H,2,6,13H2,1H3
InChIKeyQNXJDVLAVIZPQK-UHFFFAOYSA-N
XLogP1.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate?
The IUPAC name of ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate (CID 19086725) is ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate is CCOC(=O)Cn1nc(Cl)c2ccc(N)cc21.
What is the InChIKey of ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate?
The InChIKey is QNXJDVLAVIZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-2-17-10(16)6-15-9-5-7(13)3-4-8(9)11(12)14-15/h3-5H,2,6,13H2,1H3.
What are the key properties of ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate?
ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate has a molecular weight of 253.69 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate is sourced from PubChem (CID 19086725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).