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

C16H12BrFN2O — CID 103124239

IUPAC2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(C(=O)Cc2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C16H12BrFN2O/c1-20-14-5-3-2-4-12(14)16(19-20)15(21)9-10-8-11(17)6-7-13(10)18/h2-8H,9H2,1H3
InChIKeyHBRKOLSAKLWEFP-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.90
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone (PubChem CID 103124239) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone
PubChem CID103124239
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(C(=O)Cc2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C16H12BrFN2O/c1-20-14-5-3-2-4-12(14)16(19-20)15(21)9-10-8-11(17)6-7-13(10)18/h2-8H,9H2,1H3
InChIKeyHBRKOLSAKLWEFP-UHFFFAOYSA-N
XLogP3.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thj 2201
CID 91864533
Fab-144
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5-fluoro-1-methyl-1H-indazole-3-carboxamide
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2-bromo-1-(1-methyl-1H-indazol-3-yl)ethan-1-one
CID 103123692
7-Bromo-2-methyl-2H-indazole-3-carbaldehyde
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1-(2-Fluorobenzyl)-1h-indazole-3-carbonyl chloride
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1-[(4-Fluorophenyl)methyl]indazole-3-carboxamide
CID 22072655
1-(1-methyl-1H-indazol-3-yl)prop-2-en-1-one
CID 103124836
4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
CID 139216500
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1-(1-Methyl-1H-indazol-3-yl)ethan-1-one
CID 12455284

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone (CID 103124239) is 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone is Cn1nc(C(=O)Cc2cc(Br)ccc2F)c2ccccc21.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone?
The InChIKey is HBRKOLSAKLWEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-20-14-5-3-2-4-12(14)16(19-20)15(21)9-10-8-11(17)6-7-13(10)18/h2-8H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone?
2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone has a molecular weight of 347.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 103124239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).