ethane;6-fluoro-3-methyl-2H-indazole

C12H19FN2 — CID 145099326

IUPACethane;6-fluoro-3-methyl-2H-indazole
SMILESCC.CC.Cc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C8H7FN2.2C2H6/c1-5-7-3-2-6(9)4-8(7)11-10-5;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3
InChIKeyTZWVXTGWHGIBIM-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.06
Rot. Bonds

About ethane;6-fluoro-3-methyl-2H-indazole

ethane;6-fluoro-3-methyl-2H-indazole (PubChem CID 145099326) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is ethane;6-fluoro-3-methyl-2H-indazole.

Molecular Properties

Compound Nameethane;6-fluoro-3-methyl-2H-indazole
PubChem CID145099326
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Nameethane;6-fluoro-3-methyl-2H-indazole
SMILESCC.CC.Cc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C8H7FN2.2C2H6/c1-5-7-3-2-6(9)4-8(7)11-10-5;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3
InChIKeyTZWVXTGWHGIBIM-UHFFFAOYSA-N
XLogP4.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methyl-2H-indazol-6-ol
CID 144952867
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
3-(bromomethyl)-6-fluoro-2H-indazole
CID 10823278
6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole
CID 42629173
N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine
CID 70841013
1-(6-fluoro-2H-indazol-3-yl)propan-2-amine
CID 83907519
(3-methyl-2H-indazol-6-yl)methanamine;dihydrochloride
CID 170918567
2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide
CID 75397988
2-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909181
6-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2,6-difluorophenyl]-3-methyl-2H-indazole
CID 167662415
(3-methyl-2H-indazol-6-yl)methylidenehydrazine
CID 154945908
N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline
CID 70796376

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-3-methyl-2H-indazole?
The IUPAC name of ethane;6-fluoro-3-methyl-2H-indazole (CID 145099326) is ethane;6-fluoro-3-methyl-2H-indazole.
What is the SMILES notation for ethane;6-fluoro-3-methyl-2H-indazole?
The canonical SMILES for ethane;6-fluoro-3-methyl-2H-indazole is CC.CC.Cc1[nH]nc2cc(F)ccc12.
What is the InChIKey of ethane;6-fluoro-3-methyl-2H-indazole?
The InChIKey is TZWVXTGWHGIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.2C2H6/c1-5-7-3-2-6(9)4-8(7)11-10-5;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;6-fluoro-3-methyl-2H-indazole?
ethane;6-fluoro-3-methyl-2H-indazole has a molecular weight of 210.30 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-3-methyl-2H-indazole is sourced from PubChem (CID 145099326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).