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

C12H9ClF3N3 — CID 2800646

IUPAC3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H9ClF3N3/c13-10-4-9(12(14,15)16)7-19-11(10)18-6-8-2-1-3-17-5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyZJXJDYDWABUYBA-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.76
Rot. Bonds3

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

3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2800646) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2800646
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H9ClF3N3/c13-10-4-9(12(14,15)16)7-19-11(10)18-6-8-2-1-3-17-5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyZJXJDYDWABUYBA-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2800646) is 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZJXJDYDWABUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-10-4-9(12(14,15)16)7-19-11(10)18-6-8-2-1-3-17-5-8/h1-5,7H,6H2,(H,18,19).
What are the key properties of 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.67 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2800646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).