2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine

C7H6Cl2F2N2 — CID 151679183

IUPAC2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine
SMILESFC(F)CNc1cc(Cl)ncc1Cl
InChIInChI=1S/C7H6Cl2F2N2/c8-4-2-13-6(9)1-5(4)12-3-7(10)11/h1-2,7H,3H2,(H,12,13)
InChIKeyRAEAXHPDISPCFY-UHFFFAOYSA-N
MW227.04 g/mol
LogP3.07
Rot. Bonds3

About 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine

2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine (PubChem CID 151679183) has the molecular formula C7H6Cl2F2N2 and a molecular weight of 227.04 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine
PubChem CID151679183
Molecular FormulaC7H6Cl2F2N2
Molecular Weight227.04 g/mol
Exact Mass225.99
IUPAC Name2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine
SMILESFC(F)CNc1cc(Cl)ncc1Cl
InChIInChI=1S/C7H6Cl2F2N2/c8-4-2-13-6(9)1-5(4)12-3-7(10)11/h1-2,7H,3H2,(H,12,13)
InChIKeyRAEAXHPDISPCFY-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 53.07
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 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine (CID 151679183) is 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine is FC(F)CNc1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine?
The InChIKey is RAEAXHPDISPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2N2/c8-4-2-13-6(9)1-5(4)12-3-7(10)11/h1-2,7H,3H2,(H,12,13).
What are the key properties of 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine?
2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine has a molecular weight of 227.04 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2-difluoroethyl)pyridin-4-amine is sourced from PubChem (CID 151679183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).