2,6-dichloro-3,5-difluoropyridin-4-amine

C5H2Cl2F2N2 — CID 44886970

IUPAC2,6-dichloro-3,5-difluoropyridin-4-amine
SMILESNc1c(F)c(Cl)nc(Cl)c1F
InChIInChI=1S/C5H2Cl2F2N2/c6-4-1(8)3(10)2(9)5(7)11-4/h(H2,10,11)
InChIKeyTWUISKGMAQMYBL-UHFFFAOYSA-N
MW198.99 g/mol
LogP2.25
Rot. Bonds

About 2,6-dichloro-3,5-difluoropyridin-4-amine

2,6-dichloro-3,5-difluoropyridin-4-amine (PubChem CID 44886970) has the molecular formula C5H2Cl2F2N2 and a molecular weight of 198.99 g/mol. Its IUPAC name is 2,6-dichloro-3,5-difluoropyridin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-3,5-difluoropyridin-4-amine
PubChem CID44886970
Molecular FormulaC5H2Cl2F2N2
Molecular Weight198.99 g/mol
Exact Mass197.96
IUPAC Name2,6-dichloro-3,5-difluoropyridin-4-amine
SMILESNc1c(F)c(Cl)nc(Cl)c1F
InChIInChI=1S/C5H2Cl2F2N2/c6-4-1(8)3(10)2(9)5(7)11-4/h(H2,10,11)
InChIKeyTWUISKGMAQMYBL-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 52.25
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 2,6-dichloro-3,5-difluoropyridin-4-amine?
The IUPAC name of 2,6-dichloro-3,5-difluoropyridin-4-amine (CID 44886970) is 2,6-dichloro-3,5-difluoropyridin-4-amine.
What is the SMILES notation for 2,6-dichloro-3,5-difluoropyridin-4-amine?
The canonical SMILES for 2,6-dichloro-3,5-difluoropyridin-4-amine is Nc1c(F)c(Cl)nc(Cl)c1F.
What is the InChIKey of 2,6-dichloro-3,5-difluoropyridin-4-amine?
The InChIKey is TWUISKGMAQMYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F2N2/c6-4-1(8)3(10)2(9)5(7)11-4/h(H2,10,11).
What are the key properties of 2,6-dichloro-3,5-difluoropyridin-4-amine?
2,6-dichloro-3,5-difluoropyridin-4-amine has a molecular weight of 198.99 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-difluoropyridin-4-amine is sourced from PubChem (CID 44886970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).