2,4-difluoro-6-indazol-1-ylaniline

C13H9F2N3 — CID 115507215

IUPAC2,4-difluoro-6-indazol-1-ylaniline
SMILESNc1c(F)cc(F)cc1-n1ncc2ccccc21
InChIInChI=1S/C13H9F2N3/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17-18/h1-7H,16H2
InChIKeyIMKBRHRWMWYVGJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.89
Rot. Bonds1

About 2,4-difluoro-6-indazol-1-ylaniline

2,4-difluoro-6-indazol-1-ylaniline (PubChem CID 115507215) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2,4-difluoro-6-indazol-1-ylaniline.

Molecular Properties

Compound Name2,4-difluoro-6-indazol-1-ylaniline
PubChem CID115507215
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name2,4-difluoro-6-indazol-1-ylaniline
SMILESNc1c(F)cc(F)cc1-n1ncc2ccccc21
InChIInChI=1S/C13H9F2N3/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17-18/h1-7H,16H2
InChIKeyIMKBRHRWMWYVGJ-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-1-yl)-4,6-difluoroaniline
CID 113325367
5-fluoro-4-indazol-1-yl-2-methoxyaniline
CID 107259731
3,5-difluoro-4-indazol-1-ylbenzoic acid
CID 63075994
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
1-(5-fluoro-2-indazol-1-ylphenyl)ethanamine
CID 62140004
3-bromo-4-indazol-1-ylaniline
CID 62140535
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
5-amino-2-indazol-1-ylbenzonitrile
CID 55040979
4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
CID 103553587
1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine
CID 63816242
2-indazol-1-yl-5-methylpyridin-4-amine
CID 83265472
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-indazol-1-ylaniline?
The IUPAC name of 2,4-difluoro-6-indazol-1-ylaniline (CID 115507215) is 2,4-difluoro-6-indazol-1-ylaniline.
What is the SMILES notation for 2,4-difluoro-6-indazol-1-ylaniline?
The canonical SMILES for 2,4-difluoro-6-indazol-1-ylaniline is Nc1c(F)cc(F)cc1-n1ncc2ccccc21.
What is the InChIKey of 2,4-difluoro-6-indazol-1-ylaniline?
The InChIKey is IMKBRHRWMWYVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17-18/h1-7H,16H2.
What are the key properties of 2,4-difluoro-6-indazol-1-ylaniline?
2,4-difluoro-6-indazol-1-ylaniline has a molecular weight of 245.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-indazol-1-ylaniline is sourced from PubChem (CID 115507215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).