3-(2,5-dichlorophenyl)-1H-indazol-4-amine

C13H9Cl2N3 — CID 39219303

IUPAC3-(2,5-dichlorophenyl)-1H-indazol-4-amine
SMILESNc1cccc2[nH]nc(-c3cc(Cl)ccc3Cl)c12
InChIInChI=1S/C13H9Cl2N3/c14-7-4-5-9(15)8(6-7)13-12-10(16)2-1-3-11(12)17-18-13/h1-6H,16H2,(H,17,18)
InChIKeyAQHKUYFNWYXMTO-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.12
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-1H-indazol-4-amine

3-(2,5-dichlorophenyl)-1H-indazol-4-amine (PubChem CID 39219303) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1H-indazol-4-amine
PubChem CID39219303
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name3-(2,5-dichlorophenyl)-1H-indazol-4-amine
SMILESNc1cccc2[nH]nc(-c3cc(Cl)ccc3Cl)c12
InChIInChI=1S/C13H9Cl2N3/c14-7-4-5-9(15)8(6-7)13-12-10(16)2-1-3-11(12)17-18-13/h1-6H,16H2,(H,17,18)
InChIKeyAQHKUYFNWYXMTO-UHFFFAOYSA-N
XLogP4.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1H-indazol-4-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-1H-indazol-4-amine (CID 39219303) is 3-(2,5-dichlorophenyl)-1H-indazol-4-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1H-indazol-4-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1H-indazol-4-amine is Nc1cccc2[nH]nc(-c3cc(Cl)ccc3Cl)c12.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1H-indazol-4-amine?
The InChIKey is AQHKUYFNWYXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-7-4-5-9(15)8(6-7)13-12-10(16)2-1-3-11(12)17-18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 3-(2,5-dichlorophenyl)-1H-indazol-4-amine?
3-(2,5-dichlorophenyl)-1H-indazol-4-amine has a molecular weight of 278.14 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1H-indazol-4-amine is sourced from PubChem (CID 39219303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).