methyl 3-amino-4-chloroindazole-2-carboxylate

C9H8ClN3O2 — CID 54205008

IUPACmethyl 3-amino-4-chloroindazole-2-carboxylate
SMILESCOC(=O)n1nc2cccc(Cl)c2c1N
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)13-8(11)7-5(10)3-2-4-6(7)12-13/h2-4H,11H2,1H3
InChIKeyPRXDPXWCRZZANM-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.89
Rot. Bonds

About methyl 3-amino-4-chloroindazole-2-carboxylate

methyl 3-amino-4-chloroindazole-2-carboxylate (PubChem CID 54205008) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is methyl 3-amino-4-chloroindazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-chloroindazole-2-carboxylate
PubChem CID54205008
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Namemethyl 3-amino-4-chloroindazole-2-carboxylate
SMILESCOC(=O)n1nc2cccc(Cl)c2c1N
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)13-8(11)7-5(10)3-2-4-6(7)12-13/h2-4H,11H2,1H3
InChIKeyPRXDPXWCRZZANM-UHFFFAOYSA-N
XLogP1.89
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-chloroindazole-2-carboxylate?
The IUPAC name of methyl 3-amino-4-chloroindazole-2-carboxylate (CID 54205008) is methyl 3-amino-4-chloroindazole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-chloroindazole-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-chloroindazole-2-carboxylate is COC(=O)n1nc2cccc(Cl)c2c1N.
What is the InChIKey of methyl 3-amino-4-chloroindazole-2-carboxylate?
The InChIKey is PRXDPXWCRZZANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-15-9(14)13-8(11)7-5(10)3-2-4-6(7)12-13/h2-4H,11H2,1H3.
What are the key properties of methyl 3-amino-4-chloroindazole-2-carboxylate?
methyl 3-amino-4-chloroindazole-2-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-chloroindazole-2-carboxylate is sourced from PubChem (CID 54205008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).