6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine

C13H8BrF2N3 — CID 155285119

IUPAC6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine
SMILESFc1ccc(Nc2cc3cn[nH]c3cc2Br)cc1F
InChIInChI=1S/C13H8BrF2N3/c14-9-5-12-7(6-17-19-12)3-13(9)18-8-1-2-10(15)11(16)4-8/h1-6,18H,(H,17,19)
InChIKeyHVQLDGCCIRADFK-UHFFFAOYSA-N
MW324.13 g/mol
LogP4.35
Rot. Bonds2

About 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine

6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine (PubChem CID 155285119) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine
PubChem CID155285119
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine
SMILESFc1ccc(Nc2cc3cn[nH]c3cc2Br)cc1F
InChIInChI=1S/C13H8BrF2N3/c14-9-5-12-7(6-17-19-12)3-13(9)18-8-1-2-10(15)11(16)4-8/h1-6,18H,(H,17,19)
InChIKeyHVQLDGCCIRADFK-UHFFFAOYSA-N
XLogP4.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine?
The IUPAC name of 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine (CID 155285119) is 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine.
What is the SMILES notation for 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine?
The canonical SMILES for 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine is Fc1ccc(Nc2cc3cn[nH]c3cc2Br)cc1F.
What is the InChIKey of 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine?
The InChIKey is HVQLDGCCIRADFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c14-9-5-12-7(6-17-19-12)3-13(9)18-8-1-2-10(15)11(16)4-8/h1-6,18H,(H,17,19).
What are the key properties of 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine?
6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine has a molecular weight of 324.13 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine is sourced from PubChem (CID 155285119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).