methyl 2-(1-phenylindazol-3-yl)acetate

C16H14N2O2 — CID 134611940

IUPACmethyl 2-(1-phenylindazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N2O2/c1-20-16(19)11-14-13-9-5-6-10-15(13)18(17-14)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyCJTMLVNNCCWNBD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.74
Rot. Bonds3

About methyl 2-(1-phenylindazol-3-yl)acetate

methyl 2-(1-phenylindazol-3-yl)acetate (PubChem CID 134611940) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-(1-phenylindazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-phenylindazol-3-yl)acetate
PubChem CID134611940
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-(1-phenylindazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N2O2/c1-20-16(19)11-14-13-9-5-6-10-15(13)18(17-14)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyCJTMLVNNCCWNBD-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-phenylindazol-3-yl)acetate?
The IUPAC name of methyl 2-(1-phenylindazol-3-yl)acetate (CID 134611940) is methyl 2-(1-phenylindazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-phenylindazol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-phenylindazol-3-yl)acetate is COC(=O)Cc1nn(-c2ccccc2)c2ccccc12.
What is the InChIKey of methyl 2-(1-phenylindazol-3-yl)acetate?
The InChIKey is CJTMLVNNCCWNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)11-14-13-9-5-6-10-15(13)18(17-14)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of methyl 2-(1-phenylindazol-3-yl)acetate?
methyl 2-(1-phenylindazol-3-yl)acetate has a molecular weight of 266.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-phenylindazol-3-yl)acetate is sourced from PubChem (CID 134611940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).