1-(3-bromo-1-methylindazol-4-yl)propan-2-one

C11H11BrN2O — CID 83902578

IUPAC1-(3-bromo-1-methylindazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1c(Br)nn2C
InChIInChI=1S/C11H11BrN2O/c1-7(15)6-8-4-3-5-9-10(8)11(12)13-14(9)2/h3-5H,6H2,1-2H3
InChIKeyFNWFSPDZLFOOOW-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.47
Rot. Bonds2

About 1-(3-bromo-1-methylindazol-4-yl)propan-2-one

1-(3-bromo-1-methylindazol-4-yl)propan-2-one (PubChem CID 83902578) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(3-bromo-1-methylindazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-1-methylindazol-4-yl)propan-2-one
PubChem CID83902578
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(3-bromo-1-methylindazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1c(Br)nn2C
InChIInChI=1S/C11H11BrN2O/c1-7(15)6-8-4-3-5-9-10(8)11(12)13-14(9)2/h3-5H,6H2,1-2H3
InChIKeyFNWFSPDZLFOOOW-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-1-methylindazol-4-yl)acetonitrile
CID 84803860
3-bromo-1-methylindazole-4-carbaldehyde
CID 83824674
1-(1-ethyl-3-methylindol-4-yl)propan-2-one
CID 117204377
2-(3-bromo-2-methylindazol-4-yl)acetic acid
CID 84729978
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
(1-methyl-3-propan-2-ylindazol-4-yl)methanamine
CID 105455775
1-pyrazolo[1,5-a]pyridin-4-ylpropan-2-one
CID 83827376
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712
1-[3-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131050773
3-ethyl-1-methylindazol-4-ol
CID 136743904
2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid
CID 117310594

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methylindazol-4-yl)propan-2-one?
The IUPAC name of 1-(3-bromo-1-methylindazol-4-yl)propan-2-one (CID 83902578) is 1-(3-bromo-1-methylindazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-1-methylindazol-4-yl)propan-2-one?
The canonical SMILES for 1-(3-bromo-1-methylindazol-4-yl)propan-2-one is CC(=O)Cc1cccc2c1c(Br)nn2C.
What is the InChIKey of 1-(3-bromo-1-methylindazol-4-yl)propan-2-one?
The InChIKey is FNWFSPDZLFOOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7(15)6-8-4-3-5-9-10(8)11(12)13-14(9)2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-1-methylindazol-4-yl)propan-2-one?
1-(3-bromo-1-methylindazol-4-yl)propan-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methylindazol-4-yl)propan-2-one is sourced from PubChem (CID 83902578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).