methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate

C15H12ClN3O2 — CID 69188732

IUPACmethyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)9-5-6-13-12(7-9)14(19-18-13)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyHENFQEFCOYFTKD-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.75
Rot. Bonds3

About methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate

methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate (PubChem CID 69188732) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate
PubChem CID69188732
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Namemethyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)9-5-6-13-12(7-9)14(19-18-13)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyHENFQEFCOYFTKD-UHFFFAOYSA-N
XLogP3.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate?
The IUPAC name of methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate (CID 69188732) is methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate is COC(=O)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate?
The InChIKey is HENFQEFCOYFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-15(20)9-5-6-13-12(7-9)14(19-18-13)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate?
methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloroanilino)-1H-indazole-5-carboxylate is sourced from PubChem (CID 69188732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).