5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine

C6H3Cl2F3N2O — CID 130093737

IUPAC5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cnc(Cl)c(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H3Cl2F3N2O/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H,12H2
InChIKeyQPCLXAVWLFTCGW-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.87
Rot. Bonds1

About 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine

5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine (PubChem CID 130093737) has the molecular formula C6H3Cl2F3N2O and a molecular weight of 247.00 g/mol. Its IUPAC name is 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine
PubChem CID130093737
Molecular FormulaC6H3Cl2F3N2O
Molecular Weight247.00 g/mol
Exact Mass245.96
IUPAC Name5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cnc(Cl)c(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H3Cl2F3N2O/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H,12H2
InChIKeyQPCLXAVWLFTCGW-UHFFFAOYSA-N
XLogP2.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.87
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 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine (CID 130093737) is 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine is Nc1cnc(Cl)c(Cl)c1OC(F)(F)F.
What is the InChIKey of 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is QPCLXAVWLFTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2O/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H,12H2.
What are the key properties of 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine?
5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 247.00 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-4-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 130093737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).