6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine

C9H10ClF3N2 — CID 59131330

IUPAC6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2/c1-2-5-14-8-6(9(11,12)13)3-4-7(10)15-8/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyCKUCPEBBTBTBHU-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.58
Rot. Bonds3

About 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine

6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 59131330) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID59131330
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2/c1-2-5-14-8-6(9(11,12)13)3-4-7(10)15-8/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyCKUCPEBBTBTBHU-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-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine (CID 59131330) is 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine is CCCNc1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CKUCPEBBTBTBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-2-5-14-8-6(9(11,12)13)3-4-7(10)15-8/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-propyl-3-(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-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59131330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).