4-bromo-1-(6-fluoro-3-pyridinyl)indazole

C12H7BrFN3 — CID 66687367

IUPAC4-bromo-1-(6-fluoro-3-pyridinyl)indazole
SMILESFc1ccc(-n2ncc3c(Br)cccc32)cn1
InChIInChI=1S/C12H7BrFN3/c13-10-2-1-3-11-9(10)7-16-17(11)8-4-5-12(14)15-6-8/h1-7H
InChIKeyKOKVNJIAGIVHFR-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.32
Rot. Bonds1

About 4-bromo-1-(6-fluoro-3-pyridinyl)indazole

4-bromo-1-(6-fluoro-3-pyridinyl)indazole (PubChem CID 66687367) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 4-bromo-1-(6-fluoro-3-pyridinyl)indazole.

Molecular Properties

Compound Name4-bromo-1-(6-fluoro-3-pyridinyl)indazole
PubChem CID66687367
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name4-bromo-1-(6-fluoro-3-pyridinyl)indazole
SMILESFc1ccc(-n2ncc3c(Br)cccc32)cn1
InChIInChI=1S/C12H7BrFN3/c13-10-2-1-3-11-9(10)7-16-17(11)8-4-5-12(14)15-6-8/h1-7H
InChIKeyKOKVNJIAGIVHFR-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
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 4-bromo-1-(6-fluoro-3-pyridinyl)indazole?
The IUPAC name of 4-bromo-1-(6-fluoro-3-pyridinyl)indazole (CID 66687367) is 4-bromo-1-(6-fluoro-3-pyridinyl)indazole.
What is the SMILES notation for 4-bromo-1-(6-fluoro-3-pyridinyl)indazole?
The canonical SMILES for 4-bromo-1-(6-fluoro-3-pyridinyl)indazole is Fc1ccc(-n2ncc3c(Br)cccc32)cn1.
What is the InChIKey of 4-bromo-1-(6-fluoro-3-pyridinyl)indazole?
The InChIKey is KOKVNJIAGIVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-10-2-1-3-11-9(10)7-16-17(11)8-4-5-12(14)15-6-8/h1-7H.
What are the key properties of 4-bromo-1-(6-fluoro-3-pyridinyl)indazole?
4-bromo-1-(6-fluoro-3-pyridinyl)indazole has a molecular weight of 292.11 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(6-fluoro-3-pyridinyl)indazole is sourced from PubChem (CID 66687367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).