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

C9H8ClF3N2 — CID 15698220

IUPAC6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CC2)nc1Cl
InChIInChI=1S/C9H8ClF3N2/c10-8-6(9(11,12)13)3-4-7(15-8)14-5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeyXPADZUUUVPZXSY-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.33
Rot. Bonds2

About 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine

6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 15698220) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID15698220
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CC2)nc1Cl
InChIInChI=1S/C9H8ClF3N2/c10-8-6(9(11,12)13)3-4-7(15-8)14-5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeyXPADZUUUVPZXSY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine (CID 15698220) is 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NC2CC2)nc1Cl.
What is the InChIKey of 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XPADZUUUVPZXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-8-6(9(11,12)13)3-4-7(15-8)14-5-1-2-5/h3-5H,1-2H2,(H,14,15).
What are the key properties of 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine?
6-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 6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 15698220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).