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

C9H8ClF3N2 — CID 29031773

IUPAC3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC2CC2)c(Cl)c1
InChIInChI=1S/C9H8ClF3N2/c10-7-3-5(9(11,12)13)4-14-8(7)15-6-1-2-6/h3-4,6H,1-2H2,(H,14,15)
InChIKeyTZSCHGJUVRRQMA-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.33
Rot. Bonds2

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

3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 29031773) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID29031773
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC2CC2)c(Cl)c1
InChIInChI=1S/C9H8ClF3N2/c10-7-3-5(9(11,12)13)4-14-8(7)15-6-1-2-6/h3-4,6H,1-2H2,(H,14,15)
InChIKeyTZSCHGJUVRRQMA-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine (CID 29031773) is 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is TZSCHGJUVRRQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-7-3-5(9(11,12)13)4-14-8(7)15-6-1-2-6/h3-4,6H,1-2H2,(H,14,15).
What are the key properties of 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 236.62 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 29031773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).