N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine

C13H12F3N3 — CID 93034233

IUPACN-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccncc1
InChIInChI=1S/C13H12F3N3/c1-9(10-4-6-17-7-5-10)19-12-3-2-11(8-18-12)13(14,15)16/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyAWEIPBVQJIKKMZ-VIFPVBQESA-N
MW267.25 g/mol
LogP3.67
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 93034233) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID93034233
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccncc1
InChIInChI=1S/C13H12F3N3/c1-9(10-4-6-17-7-5-10)19-12-3-2-11(8-18-12)13(14,15)16/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyAWEIPBVQJIKKMZ-VIFPVBQESA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 93034233) is N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine is C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AWEIPBVQJIKKMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12F3N3/c1-9(10-4-6-17-7-5-10)19-12-3-2-11(8-18-12)13(14,15)16/h2-9H,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 93034233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).