6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C9H10ClF3N2 — CID 86646999

IUPAC6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C9H10ClF3N2/c1-2-3-14-8-5-6(9(11,12)13)4-7(10)15-8/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyHRTZXCDRQZAJMV-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.58
Rot. Bonds3

About 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 86646999) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID86646999
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C9H10ClF3N2/c1-2-3-14-8-5-6(9(11,12)13)4-7(10)15-8/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyHRTZXCDRQZAJMV-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.58
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-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 86646999) is 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HRTZXCDRQZAJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-2-3-14-8-5-6(9(11,12)13)4-7(10)15-8/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 238.64 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86646999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).