N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine

C13H8F2N4O2 — CID 166232105

IUPACN-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
SMILESO=[N+]([O-])c1cc(F)c(Nc2ccc3[nH]ncc3c2)c(F)c1
InChIInChI=1S/C13H8F2N4O2/c14-10-4-9(19(20)21)5-11(15)13(10)17-8-1-2-12-7(3-8)6-16-18-12/h1-6,17H,(H,16,18)
InChIKeyPXTANOWRHAIZLI-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.49
Rot. Bonds3

About N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine

N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine (PubChem CID 166232105) has the molecular formula C13H8F2N4O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
PubChem CID166232105
Molecular FormulaC13H8F2N4O2
Molecular Weight290.23 g/mol
Exact Mass290.06
IUPAC NameN-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
SMILESO=[N+]([O-])c1cc(F)c(Nc2ccc3[nH]ncc3c2)c(F)c1
InChIInChI=1S/C13H8F2N4O2/c14-10-4-9(19(20)21)5-11(15)13(10)17-8-1-2-12-7(3-8)6-16-18-12/h1-6,17H,(H,16,18)
InChIKeyPXTANOWRHAIZLI-UHFFFAOYSA-N
XLogP3.49
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine?
The IUPAC name of N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine (CID 166232105) is N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine?
The canonical SMILES for N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine is O=[N+]([O-])c1cc(F)c(Nc2ccc3[nH]ncc3c2)c(F)c1.
What is the InChIKey of N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine?
The InChIKey is PXTANOWRHAIZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2/c14-10-4-9(19(20)21)5-11(15)13(10)17-8-1-2-12-7(3-8)6-16-18-12/h1-6,17H,(H,16,18).
What are the key properties of N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine?
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine has a molecular weight of 290.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine is sourced from PubChem (CID 166232105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).