1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone

C10H9ClN2O — CID 69030527

IUPAC1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone
SMILESCC(=O)c1cc(C)c2n[nH]c(Cl)c2c1
InChIInChI=1S/C10H9ClN2O/c1-5-3-7(6(2)14)4-8-9(5)12-13-10(8)11/h3-4H,1-2H3,(H,12,13)
InChIKeySRYHLOFYHHYDAD-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.73
Rot. Bonds1

About 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone

1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone (PubChem CID 69030527) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone
PubChem CID69030527
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone
SMILESCC(=O)c1cc(C)c2n[nH]c(Cl)c2c1
InChIInChI=1S/C10H9ClN2O/c1-5-3-7(6(2)14)4-8-9(5)12-13-10(8)11/h3-4H,1-2H3,(H,12,13)
InChIKeySRYHLOFYHHYDAD-UHFFFAOYSA-N
XLogP2.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone?
The IUPAC name of 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone (CID 69030527) is 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone?
The canonical SMILES for 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone is CC(=O)c1cc(C)c2n[nH]c(Cl)c2c1.
What is the InChIKey of 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone?
The InChIKey is SRYHLOFYHHYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-5-3-7(6(2)14)4-8-9(5)12-13-10(8)11/h3-4H,1-2H3,(H,12,13).
What are the key properties of 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone?
1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone has a molecular weight of 208.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-7-methyl-2H-indazol-5-yl)ethanone is sourced from PubChem (CID 69030527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).