2-chloro-4-(trifluoromethyl)pyridin-3-amine

C6H4ClF3N2 — CID 19851909

IUPAC2-chloro-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)(F)F)ccnc1Cl
InChIInChI=1S/C6H4ClF3N2/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H,11H2
InChIKeyKFMUXCNJJIWKRE-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.34
Rot. Bonds

About 2-chloro-4-(trifluoromethyl)pyridin-3-amine

2-chloro-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 19851909) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)pyridin-3-amine
PubChem CID19851909
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name2-chloro-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)(F)F)ccnc1Cl
InChIInChI=1S/C6H4ClF3N2/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H,11H2
InChIKeyKFMUXCNJJIWKRE-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 2-chloro-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)pyridin-3-amine (CID 19851909) is 2-chloro-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)pyridin-3-amine is Nc1c(C(F)(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is KFMUXCNJJIWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H,11H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)pyridin-3-amine?
2-chloro-4-(trifluoromethyl)pyridin-3-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 2-chloro-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 19851909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).