5-chloro-3-(trifluoromethyl)pyridin-2-amine

C6H4ClF3N2 — CID 18988859

IUPAC5-chloro-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2H,(H2,11,12)
InChIKeyWPGLCXZKCAARBY-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.34
Rot. Bonds

About 5-chloro-3-(trifluoromethyl)pyridin-2-amine

5-chloro-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 18988859) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 5-chloro-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(trifluoromethyl)pyridin-2-amine
PubChem CID18988859
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name5-chloro-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2H,(H2,11,12)
InChIKeyWPGLCXZKCAARBY-UHFFFAOYSA-N
XLogP2.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-(trifluoromethyl)pyridin-2-amine (CID 18988859) is 5-chloro-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WPGLCXZKCAARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2H,(H2,11,12).
What are the key properties of 5-chloro-3-(trifluoromethyl)pyridin-2-amine?
5-chloro-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 196.56 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 18988859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).