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

C13H9ClFN3 — CID 14154738

IUPAC3-(3-chloroindazol-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-n2nc3ccccc3c2Cl)c1
InChIInChI=1S/C13H9ClFN3/c14-13-9-3-1-2-4-11(9)17-18(13)12-7-8(16)5-6-10(12)15/h1-7H,16H2
InChIKeyKXDZJEPAJADHDE-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.40
Rot. Bonds1

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

3-(3-chloroindazol-2-yl)-4-fluoroaniline (PubChem CID 14154738) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 3-(3-chloroindazol-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(3-chloroindazol-2-yl)-4-fluoroaniline
PubChem CID14154738
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name3-(3-chloroindazol-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-n2nc3ccccc3c2Cl)c1
InChIInChI=1S/C13H9ClFN3/c14-13-9-3-1-2-4-11(9)17-18(13)12-7-8(16)5-6-10(12)15/h1-7H,16H2
InChIKeyKXDZJEPAJADHDE-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.40
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 3-(3-chloroindazol-2-yl)-4-fluoroaniline?
The IUPAC name of 3-(3-chloroindazol-2-yl)-4-fluoroaniline (CID 14154738) is 3-(3-chloroindazol-2-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(3-chloroindazol-2-yl)-4-fluoroaniline?
The canonical SMILES for 3-(3-chloroindazol-2-yl)-4-fluoroaniline is Nc1ccc(F)c(-n2nc3ccccc3c2Cl)c1.
What is the InChIKey of 3-(3-chloroindazol-2-yl)-4-fluoroaniline?
The InChIKey is KXDZJEPAJADHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-13-9-3-1-2-4-11(9)17-18(13)12-7-8(16)5-6-10(12)15/h1-7H,16H2.
What are the key properties of 3-(3-chloroindazol-2-yl)-4-fluoroaniline?
3-(3-chloroindazol-2-yl)-4-fluoroaniline has a molecular weight of 261.69 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroindazol-2-yl)-4-fluoroaniline is sourced from PubChem (CID 14154738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).