2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine

C13H12F3N3 — CID 70795723

IUPAC2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
SMILESCc1cc(NCc2ccccn2)c(C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3/c1-9-6-12(11(8-18-9)13(14,15)16)19-7-10-4-2-3-5-17-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyMJXDIXGVPCYHIB-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine

2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 70795723) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
PubChem CID70795723
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
SMILESCc1cc(NCc2ccccn2)c(C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3/c1-9-6-12(11(8-18-9)13(14,15)16)19-7-10-4-2-3-5-17-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyMJXDIXGVPCYHIB-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine (CID 70795723) is 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine is Cc1cc(NCc2ccccn2)c(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is MJXDIXGVPCYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-9-6-12(11(8-18-9)13(14,15)16)19-7-10-4-2-3-5-17-10/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine?
2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 70795723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).