N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine

C13H9ClFN3 — CID 25096271

IUPACN-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C13H9ClFN3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
InChIKeyLDQWKOLMCZOOLC-UHFFFAOYSA-N
MW261.69 g/mol
LogP4.10
Rot. Bonds2

About N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine

N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine (PubChem CID 25096271) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
PubChem CID25096271
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC NameN-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C13H9ClFN3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
InChIKeyLDQWKOLMCZOOLC-UHFFFAOYSA-N
XLogP4.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine (CID 25096271) is N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine is Fc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine?
The InChIKey is LDQWKOLMCZOOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18).
What are the key properties of N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine?
N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine has a molecular weight of 261.69 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 25096271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).