2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H9F3N4 — CID 71503682

IUPAC2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCc1ccncc1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)11-2-1-10(7-17)12(20-11)19-8-9-3-5-18-6-4-9/h1-6H,8H2,(H,19,20)
InChIKeyIUMHYHAUNUQFJE-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.98
Rot. Bonds3

About 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 71503682) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID71503682
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCc1ccncc1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)11-2-1-10(7-17)12(20-11)19-8-9-3-5-18-6-4-9/h1-6H,8H2,(H,19,20)
InChIKeyIUMHYHAUNUQFJE-UHFFFAOYSA-N
XLogP2.98
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 71503682) is 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IUMHYHAUNUQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)11-2-1-10(7-17)12(20-11)19-8-9-3-5-18-6-4-9/h1-6H,8H2,(H,19,20).
What are the key properties of 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 278.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71503682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).