N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine

C13H12F3N3 — CID 54943560

IUPACN-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCc1ccncc1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-2-1-6-18-12(11)19-9-5-10-3-7-17-8-4-10/h1-4,6-8H,5,9H2,(H,18,19)
InChIKeyZRGODDQKKNQBLQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.15
Rot. Bonds4

About N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine

N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 54943560) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID54943560
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCc1ccncc1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-2-1-6-18-12(11)19-9-5-10-3-7-17-8-4-10/h1-4,6-8H,5,9H2,(H,18,19)
InChIKeyZRGODDQKKNQBLQ-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 62315023
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 133270380

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 54943560) is N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCCc1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZRGODDQKKNQBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)11-2-1-6-18-12(11)19-9-5-10-3-7-17-8-4-10/h1-4,6-8H,5,9H2,(H,18,19).
What are the key properties of N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54943560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).