4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine

C8H8ClF3N2 — CID 166080609

IUPAC4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(N)c(C)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2/c1-3-6(9)5(8(10,11)12)4(2)14-7(3)13/h1-2H3,(H2,13,14)
InChIKeyOIHQUKAFDNUDNL-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.95
Rot. Bonds

About 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine

4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 166080609) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID166080609
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(N)c(C)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2/c1-3-6(9)5(8(10,11)12)4(2)14-7(3)13/h1-2H3,(H2,13,14)
InChIKeyOIHQUKAFDNUDNL-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine (CID 166080609) is 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine is Cc1nc(N)c(C)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OIHQUKAFDNUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-3-6(9)5(8(10,11)12)4(2)14-7(3)13/h1-2H3,(H2,13,14).
What are the key properties of 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 224.61 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 166080609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).