ethyl 3,7-difluoro-2H-indazole-6-carboxylate

C10H8F2N2O2 — CID 171474866

IUPACethyl 3,7-difluoro-2H-indazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(F)[nH]nc2c1F
InChIInChI=1S/C10H8F2N2O2/c1-2-16-10(15)5-3-4-6-8(7(5)11)13-14-9(6)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyJISXAKZZNVDLST-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.02
Rot. Bonds2

About ethyl 3,7-difluoro-2H-indazole-6-carboxylate

ethyl 3,7-difluoro-2H-indazole-6-carboxylate (PubChem CID 171474866) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is ethyl 3,7-difluoro-2H-indazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,7-difluoro-2H-indazole-6-carboxylate
PubChem CID171474866
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Nameethyl 3,7-difluoro-2H-indazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(F)[nH]nc2c1F
InChIInChI=1S/C10H8F2N2O2/c1-2-16-10(15)5-3-4-6-8(7(5)11)13-14-9(6)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyJISXAKZZNVDLST-UHFFFAOYSA-N
XLogP2.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,7-difluoro-2H-indazole-6-carboxylate?
The IUPAC name of ethyl 3,7-difluoro-2H-indazole-6-carboxylate (CID 171474866) is ethyl 3,7-difluoro-2H-indazole-6-carboxylate.
What is the SMILES notation for ethyl 3,7-difluoro-2H-indazole-6-carboxylate?
The canonical SMILES for ethyl 3,7-difluoro-2H-indazole-6-carboxylate is CCOC(=O)c1ccc2c(F)[nH]nc2c1F.
What is the InChIKey of ethyl 3,7-difluoro-2H-indazole-6-carboxylate?
The InChIKey is JISXAKZZNVDLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-2-16-10(15)5-3-4-6-8(7(5)11)13-14-9(6)12/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 3,7-difluoro-2H-indazole-6-carboxylate?
ethyl 3,7-difluoro-2H-indazole-6-carboxylate has a molecular weight of 226.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,7-difluoro-2H-indazole-6-carboxylate is sourced from PubChem (CID 171474866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).