2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C12H8F3N3S — CID 2726257

IUPAC2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C12H8F3N3S/c1-17-11-7(6-16)8(12(13,14)15)5-9(18-11)10-3-2-4-19-10/h2-5H,1H3,(H,17,18)
InChIKeyFFJWSMNUSHDPEA-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.74
Rot. Bonds2

About 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2726257) has the molecular formula C12H8F3N3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2726257
Molecular FormulaC12H8F3N3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C12H8F3N3S/c1-17-11-7(6-16)8(12(13,14)15)5-9(18-11)10-3-2-4-19-10/h2-5H,1H3,(H,17,18)
InChIKeyFFJWSMNUSHDPEA-UHFFFAOYSA-N
XLogP3.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2726257) is 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is CNc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FFJWSMNUSHDPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3S/c1-17-11-7(6-16)8(12(13,14)15)5-9(18-11)10-3-2-4-19-10/h2-5H,1H3,(H,17,18).
What are the key properties of 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 283.28 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2726257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).