N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

C12H10F3N3 — CID 29039345

IUPACN-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1cccnc1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-4-2-6-17-11(10)18-8-9-3-1-5-16-7-9/h1-7H,8H2,(H,17,18)
InChIKeyVZKJIQDZAXOIDG-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.11
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 29039345) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID29039345
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1cccnc1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-4-2-6-17-11(10)18-8-9-3-1-5-16-7-9/h1-7H,8H2,(H,17,18)
InChIKeyVZKJIQDZAXOIDG-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

N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133332763
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61402525
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 133270380
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 71779000
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 29039345) is N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VZKJIQDZAXOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)10-4-2-6-17-11(10)18-8-9-3-1-5-16-7-9/h1-7H,8H2,(H,17,18).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(pyridin-3-ylmethyl)-3-(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-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 29039345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).