4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile

C11H12F3N3 — CID 63226839

IUPAC4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCC(F)(F)F)n1
InChIInChI=1S/C11H12F3N3/c1-7-5-8(2)17-10(9(7)6-15)16-4-3-11(12,13)14/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyIWHHBIWTLSPNNQ-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.93
Rot. Bonds3

About 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile

4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile (PubChem CID 63226839) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
PubChem CID63226839
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCC(F)(F)F)n1
InChIInChI=1S/C11H12F3N3/c1-7-5-8(2)17-10(9(7)6-15)16-4-3-11(12,13)14/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyIWHHBIWTLSPNNQ-UHFFFAOYSA-N
XLogP2.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile (CID 63226839) is 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCC(F)(F)F)n1.
What is the InChIKey of 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile?
The InChIKey is IWHHBIWTLSPNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-7-5-8(2)17-10(9(7)6-15)16-4-3-11(12,13)14/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 63226839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).