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

C12H10F3N3 — CID 4963438

IUPACN-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-4-5-11(17-7-9)18-8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,18)
InChIKeyHCHVKRNZKQYAFB-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.11
Rot. Bonds3

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

N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 4963438) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID4963438
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-4-5-11(17-7-9)18-8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,18)
InChIKeyHCHVKRNZKQYAFB-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
Jnj-17203212
CID 11339118
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 4963438) is N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCc2ccccn2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HCHVKRNZKQYAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)9-4-5-11(17-7-9)18-8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,18).
What are the key properties of N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 4963438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).