3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine

C12H9ClF3N3 — CID 107920558

IUPAC3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H9ClF3N3/c13-5-1-7(12(18)19-4-5)11(17)10-8(15)2-6(14)3-9(10)16/h1-4,11H,17H2,(H2,18,19)
InChIKeyZPRZEGKSTZXASY-UHFFFAOYSA-N
MW287.67 g/mol
LogP2.78
Rot. Bonds2

About 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine

3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine (PubChem CID 107920558) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine
PubChem CID107920558
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H9ClF3N3/c13-5-1-7(12(18)19-4-5)11(17)10-8(15)2-6(14)3-9(10)16/h1-4,11H,17H2,(H2,18,19)
InChIKeyZPRZEGKSTZXASY-UHFFFAOYSA-N
XLogP2.78
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine (CID 107920558) is 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine is Nc1ncc(Cl)cc1C(N)c1c(F)cc(F)cc1F.
What is the InChIKey of 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine?
The InChIKey is ZPRZEGKSTZXASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-5-1-7(12(18)19-4-5)11(17)10-8(15)2-6(14)3-9(10)16/h1-4,11H,17H2,(H2,18,19).
What are the key properties of 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine?
3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine has a molecular weight of 287.67 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 107920558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).