N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine

C13H7ClF4N4 — CID 10131580

IUPACN-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine
SMILESFc1c(C(F)(F)F)ccc2c(Nc3ccc(Cl)nc3)n[nH]c12
InChIInChI=1S/C13H7ClF4N4/c14-9-4-1-6(5-19-9)20-12-7-2-3-8(13(16,17)18)10(15)11(7)21-22-12/h1-5H,(H2,20,21,22)
InChIKeyFRJDEFQSNIXCTA-UHFFFAOYSA-N
MW330.67 g/mol
LogP4.51
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine

N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine (PubChem CID 10131580) has the molecular formula C13H7ClF4N4 and a molecular weight of 330.67 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine
PubChem CID10131580
Molecular FormulaC13H7ClF4N4
Molecular Weight330.67 g/mol
Exact Mass330.03
IUPAC NameN-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine
SMILESFc1c(C(F)(F)F)ccc2c(Nc3ccc(Cl)nc3)n[nH]c12
InChIInChI=1S/C13H7ClF4N4/c14-9-4-1-6(5-19-9)20-12-7-2-3-8(13(16,17)18)10(15)11(7)21-22-12/h1-5H,(H2,20,21,22)
InChIKeyFRJDEFQSNIXCTA-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.67
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine (CID 10131580) is N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine is Fc1c(C(F)(F)F)ccc2c(Nc3ccc(Cl)nc3)n[nH]c12.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine?
The InChIKey is FRJDEFQSNIXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N4/c14-9-4-1-6(5-19-9)20-12-7-2-3-8(13(16,17)18)10(15)11(7)21-22-12/h1-5H,(H2,20,21,22).
What are the key properties of N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine?
N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine has a molecular weight of 330.67 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-7-fluoro-6-(trifluoromethyl)-1H-indazol-3-amine is sourced from PubChem (CID 10131580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).