ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole

C14H23FN2O2 — CID 178095860

IUPACethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole
SMILESCC.CC.COc1c(F)cc2c(C)[nH]nc2c1OC
InChIInChI=1S/C10H11FN2O2.2C2H6/c1-5-6-4-7(11)9(14-2)10(15-3)8(6)13-12-5;2*1-2/h4H,1-3H3,(H,12,13);2*1-2H3
InChIKeyKOUVQZALDGAYNT-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.08
Rot. Bonds2

About ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole

ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole (PubChem CID 178095860) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole.

Molecular Properties

Compound Nameethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole
PubChem CID178095860
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Nameethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole
SMILESCC.CC.COc1c(F)cc2c(C)[nH]nc2c1OC
InChIInChI=1S/C10H11FN2O2.2C2H6/c1-5-6-4-7(11)9(14-2)10(15-3)8(6)13-12-5;2*1-2/h4H,1-3H3,(H,12,13);2*1-2H3
InChIKeyKOUVQZALDGAYNT-UHFFFAOYSA-N
XLogP4.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole
CID 178095861
5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane
CID 178095598
6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen
CID 176569787
(7-methoxy-3-methyl-2H-indazol-5-yl)methanamine
CID 117109639
3,4-dimethoxy-5-methyl-1H-pyrazole
CID 105428343
4-methoxy-5-methyl-1H-pyrazol-3-amine
CID 45078788
5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane
CID 172573814
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
5-bromo-3,7-dimethyl-2H-pyrazolo[3,4-c]pyridine;ethane
CID 172572756
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol
CID 171503692
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole?
The IUPAC name of ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole (CID 178095860) is ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole.
What is the SMILES notation for ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole?
The canonical SMILES for ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole is CC.CC.COc1c(F)cc2c(C)[nH]nc2c1OC.
What is the InChIKey of ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole?
The InChIKey is KOUVQZALDGAYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2.2C2H6/c1-5-6-4-7(11)9(14-2)10(15-3)8(6)13-12-5;2*1-2/h4H,1-3H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole?
ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole has a molecular weight of 270.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole is sourced from PubChem (CID 178095860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).