N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C13H10ClF3N2 — CID 29301319

IUPACN-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N2/c14-11-6-10(13(15,16)17)8-19-12(11)18-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,18,19)
InChIKeyRZYQFEKQMSHUKO-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.37
Rot. Bonds3

About N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 29301319) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID29301319
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC NameN-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N2/c14-11-6-10(13(15,16)17)8-19-12(11)18-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,18,19)
InChIKeyRZYQFEKQMSHUKO-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 29301319) is N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RZYQFEKQMSHUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-11-6-10(13(15,16)17)8-19-12(11)18-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,18,19).
What are the key properties of N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 286.68 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 29301319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).