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

C9H7ClN2O — CID 69031597

IUPAC1-(3-chloro-2H-indazol-5-yl)ethanone
SMILESCC(=O)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C9H7ClN2O/c1-5(13)6-2-3-8-7(4-6)9(10)12-11-8/h2-4H,1H3,(H,11,12)
InChIKeyPHWVQHREUJQZJT-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.42
Rot. Bonds1

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

1-(3-chloro-2H-indazol-5-yl)ethanone (PubChem CID 69031597) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-(3-chloro-2H-indazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2H-indazol-5-yl)ethanone
PubChem CID69031597
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1-(3-chloro-2H-indazol-5-yl)ethanone
SMILESCC(=O)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C9H7ClN2O/c1-5(13)6-2-3-8-7(4-6)9(10)12-11-8/h2-4H,1H3,(H,11,12)
InChIKeyPHWVQHREUJQZJT-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2H-indazol-5-yl)ethanone?
The IUPAC name of 1-(3-chloro-2H-indazol-5-yl)ethanone (CID 69031597) is 1-(3-chloro-2H-indazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-2H-indazol-5-yl)ethanone?
The canonical SMILES for 1-(3-chloro-2H-indazol-5-yl)ethanone is CC(=O)c1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 1-(3-chloro-2H-indazol-5-yl)ethanone?
The InChIKey is PHWVQHREUJQZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5(13)6-2-3-8-7(4-6)9(10)12-11-8/h2-4H,1H3,(H,11,12).
What are the key properties of 1-(3-chloro-2H-indazol-5-yl)ethanone?
1-(3-chloro-2H-indazol-5-yl)ethanone has a molecular weight of 194.62 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2H-indazol-5-yl)ethanone is sourced from PubChem (CID 69031597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).