2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

C8H6F3N3 — CID 130681330

IUPAC2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C8H6F3N3/c1-4-2-6(8(9,10)11)14-7(13)5(4)3-12/h2H,1H3,(H2,13,14)
InChIKeyQPDLQNQRJZWIFM-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.86
Rot. Bonds

About 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 130681330) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID130681330
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C8H6F3N3/c1-4-2-6(8(9,10)11)14-7(13)5(4)3-12/h2H,1H3,(H2,13,14)
InChIKeyQPDLQNQRJZWIFM-UHFFFAOYSA-N
XLogP1.86
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 130681330) is 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QPDLQNQRJZWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c1-4-2-6(8(9,10)11)14-7(13)5(4)3-12/h2H,1H3,(H2,13,14).
What are the key properties of 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130681330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).