2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol

C15H13Cl2N3O — CID 44567878

IUPAC2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol
SMILESNc1nn(CCO)c2cc(-c3ccc(Cl)cc3Cl)ccc12
InChIInChI=1S/C15H13Cl2N3O/c16-10-2-4-11(13(17)8-10)9-1-3-12-14(7-9)20(5-6-21)19-15(12)18/h1-4,7-8,21H,5-6H2,(H2,18,19)
InChIKeyRLTOUMQUJUZPPL-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.58
Rot. Bonds3

About 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol

2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol (PubChem CID 44567878) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol
PubChem CID44567878
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol
SMILESNc1nn(CCO)c2cc(-c3ccc(Cl)cc3Cl)ccc12
InChIInChI=1S/C15H13Cl2N3O/c16-10-2-4-11(13(17)8-10)9-1-3-12-14(7-9)20(5-6-21)19-15(12)18/h1-4,7-8,21H,5-6H2,(H2,18,19)
InChIKeyRLTOUMQUJUZPPL-UHFFFAOYSA-N
XLogP3.58
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol?
The IUPAC name of 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol (CID 44567878) is 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol?
The canonical SMILES for 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol is Nc1nn(CCO)c2cc(-c3ccc(Cl)cc3Cl)ccc12.
What is the InChIKey of 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol?
The InChIKey is RLTOUMQUJUZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-10-2-4-11(13(17)8-10)9-1-3-12-14(7-9)20(5-6-21)19-15(12)18/h1-4,7-8,21H,5-6H2,(H2,18,19).
What are the key properties of 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol?
2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,4-dichlorophenyl)indazol-1-yl]ethanol is sourced from PubChem (CID 44567878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).