(5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone

C15H10BrFN2O — CID 103124968

IUPAC(5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C15H10BrFN2O/c1-19-13-5-3-2-4-10(13)14(18-19)15(20)11-8-9(16)6-7-12(11)17/h2-8H,1H3
InChIKeyUPJDDKAATVTYGN-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.71
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone

(5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103124968) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
PubChem CID103124968
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name(5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C15H10BrFN2O/c1-19-13-5-3-2-4-10(13)14(18-19)15(20)11-8-9(16)6-7-12(11)17/h2-8H,1H3
InChIKeyUPJDDKAATVTYGN-UHFFFAOYSA-N
XLogP3.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-Methyl-1H-indazol-3-yl)ethan-1-one
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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone (CID 103124968) is (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)c2cc(Br)ccc2F)c2ccccc21.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is UPJDDKAATVTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-19-13-5-3-2-4-10(13)14(18-19)15(20)11-8-9(16)6-7-12(11)17/h2-8H,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
(5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone has a molecular weight of 333.16 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103124968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).