6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine

C10H12ClF3N2 — CID 86646995

IUPAC6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF3N2/c1-3-16(4-2)9-6-7(10(12,13)14)5-8(11)15-9/h5-6H,3-4H2,1-2H3
InChIKeySEQSXULBDXAZHP-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.60
Rot. Bonds3

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

6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 86646995) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID86646995
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF3N2/c1-3-16(4-2)9-6-7(10(12,13)14)5-8(11)15-9/h5-6H,3-4H2,1-2H3
InChIKeySEQSXULBDXAZHP-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.60
H-Bond Donors ≤ 50
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,N-diethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine (CID 86646995) is 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine is CCN(CC)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SEQSXULBDXAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-3-16(4-2)9-6-7(10(12,13)14)5-8(11)15-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 252.67 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86646995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).