2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline

C13H8Cl2FN3 — CID 86159487

IUPAC2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline
SMILESNc1cc(-n2nc3ccccc3c2Cl)c(F)cc1Cl
InChIInChI=1S/C13H8Cl2FN3/c14-8-5-9(16)12(6-10(8)17)19-13(15)7-3-1-2-4-11(7)18-19/h1-6H,17H2
InChIKeyIQLMVRAOLNAOON-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.05
Rot. Bonds1

About 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline

2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline (PubChem CID 86159487) has the molecular formula C13H8Cl2FN3 and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline
PubChem CID86159487
Molecular FormulaC13H8Cl2FN3
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline
SMILESNc1cc(-n2nc3ccccc3c2Cl)c(F)cc1Cl
InChIInChI=1S/C13H8Cl2FN3/c14-8-5-9(16)12(6-10(8)17)19-13(15)7-3-1-2-4-11(7)18-19/h1-6H,17H2
InChIKeyIQLMVRAOLNAOON-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline?
The IUPAC name of 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline (CID 86159487) is 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline is Nc1cc(-n2nc3ccccc3c2Cl)c(F)cc1Cl.
What is the InChIKey of 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline?
The InChIKey is IQLMVRAOLNAOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3/c14-8-5-9(16)12(6-10(8)17)19-13(15)7-3-1-2-4-11(7)18-19/h1-6H,17H2.
What are the key properties of 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline?
2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline has a molecular weight of 296.13 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloroindazol-2-yl)-4-fluoroaniline is sourced from PubChem (CID 86159487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).