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

C6H4ClF3N2 — CID 13064152

IUPAC6-chloro-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H,(H2,11,12)
InChIKeyXKMSOSLGTYIFCE-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.34
Rot. Bonds

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

6-chloro-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 13064152) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)pyridin-2-amine
PubChem CID13064152
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name6-chloro-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H,(H2,11,12)
InChIKeyXKMSOSLGTYIFCE-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

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-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)pyridin-2-amine (CID 13064152) is 6-chloro-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)pyridin-2-amine is Nc1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XKMSOSLGTYIFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H,(H2,11,12).
What are the key properties of 6-chloro-3-(trifluoromethyl)pyridin-2-amine?
6-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 6-chloro-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 13064152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).