methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate

C16H13ClN2O2 — CID 46856253

IUPACmethyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H13ClN2O2/c1-21-15(20)10-19-14-5-3-2-4-13(14)16(18-19)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKeyGAVMWROQPLVBQA-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.53
Rot. Bonds3

About methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate

methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate (PubChem CID 46856253) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate
PubChem CID46856253
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Namemethyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H13ClN2O2/c1-21-15(20)10-19-14-5-3-2-4-13(14)16(18-19)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKeyGAVMWROQPLVBQA-UHFFFAOYSA-N
XLogP3.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate (CID 46856253) is methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate is COC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate?
The InChIKey is GAVMWROQPLVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-15(20)10-19-14-5-3-2-4-13(14)16(18-19)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate?
methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate has a molecular weight of 300.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate is sourced from PubChem (CID 46856253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).