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

C6H4ClF3N2O — CID 87368506

IUPAC2-chloro-3-(trifluoromethoxy)pyridin-4-amine
SMILESNc1ccnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-5-4(13-6(8,9)10)3(11)1-2-12-5/h1-2H,(H2,11,12)
InChIKeyKEEKHPXFDBFESD-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.22
Rot. Bonds1

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

2-chloro-3-(trifluoromethoxy)pyridin-4-amine (PubChem CID 87368506) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 2-chloro-3-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(trifluoromethoxy)pyridin-4-amine
PubChem CID87368506
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name2-chloro-3-(trifluoromethoxy)pyridin-4-amine
SMILESNc1ccnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-5-4(13-6(8,9)10)3(11)1-2-12-5/h1-2H,(H2,11,12)
InChIKeyKEEKHPXFDBFESD-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 2-chloro-3-(trifluoromethoxy)pyridin-4-amine (CID 87368506) is 2-chloro-3-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 2-chloro-3-(trifluoromethoxy)pyridin-4-amine is Nc1ccnc(Cl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-3-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is KEEKHPXFDBFESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-5-4(13-6(8,9)10)3(11)1-2-12-5/h1-2H,(H2,11,12).
What are the key properties of 2-chloro-3-(trifluoromethoxy)pyridin-4-amine?
2-chloro-3-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 212.56 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 87368506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).