ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile

C12H17F3N2 — CID 142280419

IUPACethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
SMILESCC.CC.Cc1cc(C#N)c(C(F)(F)F)cn1
InChIInChI=1S/C8H5F3N2.2C2H6/c1-5-2-6(3-12)7(4-13-5)8(9,10)11;2*1-2/h2,4H,1H3;2*1-2H3
InChIKeyLTQHSJQQINBBIO-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.33
Rot. Bonds

About ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile

ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 142280419) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Nameethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID142280419
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Nameethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
SMILESCC.CC.Cc1cc(C#N)c(C(F)(F)F)cn1
InChIInChI=1S/C8H5F3N2.2C2H6/c1-5-2-6(3-12)7(4-13-5)8(9,10)11;2*1-2/h2,4H,1H3;2*1-2H3
InChIKeyLTQHSJQQINBBIO-UHFFFAOYSA-N
XLogP4.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-methylpyridine-4-carbonitrile
CID 82593829
4-methyl-5-sulfanyl-2-(trifluoromethyl)benzonitrile
CID 170995745
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile
CID 82573311
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-thiolate
CID 7063940
2-iodo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171783031
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 170598975
5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)pyridine
CID 121389108
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 134618135

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile (CID 142280419) is ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile is CC.CC.Cc1cc(C#N)c(C(F)(F)F)cn1.
What is the InChIKey of ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is LTQHSJQQINBBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2.2C2H6/c1-5-2-6(3-12)7(4-13-5)8(9,10)11;2*1-2/h2,4H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 246.28 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 142280419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).