benzyl 6-chloroindazole-1-carboxylate

C15H11ClN2O2 — CID 118940760

IUPACbenzyl 6-chloroindazole-1-carboxylate
SMILESO=C(OCc1ccccc1)n1ncc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O2/c16-13-7-6-12-9-17-18(14(12)8-13)15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKLGSNWGYBIDFHN-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.87
Rot. Bonds2

About benzyl 6-chloroindazole-1-carboxylate

benzyl 6-chloroindazole-1-carboxylate (PubChem CID 118940760) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is benzyl 6-chloroindazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-chloroindazole-1-carboxylate
PubChem CID118940760
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Namebenzyl 6-chloroindazole-1-carboxylate
SMILESO=C(OCc1ccccc1)n1ncc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O2/c16-13-7-6-12-9-17-18(14(12)8-13)15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKLGSNWGYBIDFHN-UHFFFAOYSA-N
XLogP3.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-chloroindazole-1-carboxylate?
The IUPAC name of benzyl 6-chloroindazole-1-carboxylate (CID 118940760) is benzyl 6-chloroindazole-1-carboxylate.
What is the SMILES notation for benzyl 6-chloroindazole-1-carboxylate?
The canonical SMILES for benzyl 6-chloroindazole-1-carboxylate is O=C(OCc1ccccc1)n1ncc2ccc(Cl)cc21.
What is the InChIKey of benzyl 6-chloroindazole-1-carboxylate?
The InChIKey is KLGSNWGYBIDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-13-7-6-12-9-17-18(14(12)8-13)15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of benzyl 6-chloroindazole-1-carboxylate?
benzyl 6-chloroindazole-1-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-chloroindazole-1-carboxylate is sourced from PubChem (CID 118940760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).