6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine

C14H11F2N3 — CID 23589820

IUPAC6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine
SMILESCn1nc(-c2cccc(F)c2)c2cc(N)c(F)cc21
InChIInChI=1S/C14H11F2N3/c1-19-13-7-11(16)12(17)6-10(13)14(18-19)8-3-2-4-9(15)5-8/h2-7H,17H2,1H3
InChIKeyUGXXDSBBHOBHSI-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.10
Rot. Bonds1

About 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine

6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine (PubChem CID 23589820) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine.

Molecular Properties

Compound Name6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine
PubChem CID23589820
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine
SMILESCn1nc(-c2cccc(F)c2)c2cc(N)c(F)cc21
InChIInChI=1S/C14H11F2N3/c1-19-13-7-11(16)12(17)6-10(13)14(18-19)8-3-2-4-9(15)5-8/h2-7H,17H2,1H3
InChIKeyUGXXDSBBHOBHSI-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.10
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

1-benzyl-1H-indazole
CID 797066
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-methyl-5-nitro-3-phenyl-1H-indazole
CID 2986335
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
1-(2,2-Difluoroethyl)-3-phenylindazole
CID 118568941
3-Phenyl-1-(2,2,2-trifluoroethyl)indazole
CID 118568942
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-(1H-indazol-1-yl)propan-1-amine
CID 16188877

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine?
The IUPAC name of 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine (CID 23589820) is 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine.
What is the SMILES notation for 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine?
The canonical SMILES for 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine is Cn1nc(-c2cccc(F)c2)c2cc(N)c(F)cc21.
What is the InChIKey of 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine?
The InChIKey is UGXXDSBBHOBHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-19-13-7-11(16)12(17)6-10(13)14(18-19)8-3-2-4-9(15)5-8/h2-7H,17H2,1H3.
What are the key properties of 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine?
6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine has a molecular weight of 259.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine is sourced from PubChem (CID 23589820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).