1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone

C15H9ClF2N2O — CID 58368503

IUPAC1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone
SMILESCC(=O)c1cc(Cl)c2cn[nH]c2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H9ClF2N2O/c1-7(21)11-5-13(16)12-6-19-20-15(12)14(11)8-2-9(17)4-10(18)3-8/h2-6H,1H3,(H,19,20)
InChIKeyNNCCHRQNNKJMCK-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.36
Rot. Bonds2

About 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone

1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone (PubChem CID 58368503) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone
PubChem CID58368503
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone
SMILESCC(=O)c1cc(Cl)c2cn[nH]c2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H9ClF2N2O/c1-7(21)11-5-13(16)12-6-19-20-15(12)14(11)8-2-9(17)4-10(18)3-8/h2-6H,1H3,(H,19,20)
InChIKeyNNCCHRQNNKJMCK-UHFFFAOYSA-N
XLogP4.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone?
The IUPAC name of 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone (CID 58368503) is 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone.
What is the SMILES notation for 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone?
The canonical SMILES for 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone is CC(=O)c1cc(Cl)c2cn[nH]c2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone?
The InChIKey is NNCCHRQNNKJMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c1-7(21)11-5-13(16)12-6-19-20-15(12)14(11)8-2-9(17)4-10(18)3-8/h2-6H,1H3,(H,19,20).
What are the key properties of 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone?
1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone has a molecular weight of 306.70 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-7-(3,5-difluorophenyl)-1H-indazol-6-yl]ethanone is sourced from PubChem (CID 58368503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).