3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile

C10H6F3N3 — CID 162550756

IUPAC3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile
SMILESCc1nn(C#N)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H6F3N3/c1-6-7-3-2-4-8(10(11,12)13)9(7)16(5-14)15-6/h2-4H,1H3
InChIKeyOGLDBCKFWINYFN-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.69
Rot. Bonds

About 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile

3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile (PubChem CID 162550756) has the molecular formula C10H6F3N3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile
PubChem CID162550756
Molecular FormulaC10H6F3N3
Molecular Weight225.17 g/mol
Exact Mass225.05
IUPAC Name3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile
SMILESCc1nn(C#N)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H6F3N3/c1-6-7-3-2-4-8(10(11,12)13)9(7)16(5-14)15-6/h2-4H,1H3
InChIKeyOGLDBCKFWINYFN-UHFFFAOYSA-N
XLogP2.69
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile?
The IUPAC name of 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile (CID 162550756) is 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile.
What is the SMILES notation for 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile?
The canonical SMILES for 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile is Cc1nn(C#N)c2c(C(F)(F)F)cccc12.
What is the InChIKey of 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile?
The InChIKey is OGLDBCKFWINYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3/c1-6-7-3-2-4-8(10(11,12)13)9(7)16(5-14)15-6/h2-4H,1H3.
What are the key properties of 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile?
3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile has a molecular weight of 225.17 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile is sourced from PubChem (CID 162550756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).