5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine

C14H12ClN3O — CID 56709890

IUPAC5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cccc(Cl)c1-c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C14H12ClN3O/c1-19-12-4-2-3-10(15)13(12)8-5-6-11-9(7-8)14(16)18-17-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyKOZQUJVWJOBDGN-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.47
Rot. Bonds2

About 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine

5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine (PubChem CID 56709890) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine
PubChem CID56709890
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cccc(Cl)c1-c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C14H12ClN3O/c1-19-12-4-2-3-10(15)13(12)8-5-6-11-9(7-8)14(16)18-17-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyKOZQUJVWJOBDGN-UHFFFAOYSA-N
XLogP3.47
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine (CID 56709890) is 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine is COc1cccc(Cl)c1-c1ccc2[nH]nc(N)c2c1.
What is the InChIKey of 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine?
The InChIKey is KOZQUJVWJOBDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-12-4-2-3-10(15)13(12)8-5-6-11-9(7-8)14(16)18-17-11/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine?
5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine has a molecular weight of 273.72 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 56709890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).