5-chloro-3,6-difluoropyridin-2-amine

C5H3ClF2N2 — CID 22121247

IUPAC5-chloro-3,6-difluoropyridin-2-amine
SMILESNc1nc(F)c(Cl)cc1F
InChIInChI=1S/C5H3ClF2N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKeyZJBWTBQUJBHTHS-UHFFFAOYSA-N
MW164.54 g/mol
LogP1.60
Rot. Bonds

About 5-chloro-3,6-difluoropyridin-2-amine

5-chloro-3,6-difluoropyridin-2-amine (PubChem CID 22121247) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 5-chloro-3,6-difluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3,6-difluoropyridin-2-amine
PubChem CID22121247
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name5-chloro-3,6-difluoropyridin-2-amine
SMILESNc1nc(F)c(Cl)cc1F
InChIInChI=1S/C5H3ClF2N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKeyZJBWTBQUJBHTHS-UHFFFAOYSA-N
XLogP1.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 51.60
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 5-chloro-3,6-difluoropyridin-2-amine?
The IUPAC name of 5-chloro-3,6-difluoropyridin-2-amine (CID 22121247) is 5-chloro-3,6-difluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-3,6-difluoropyridin-2-amine?
The canonical SMILES for 5-chloro-3,6-difluoropyridin-2-amine is Nc1nc(F)c(Cl)cc1F.
What is the InChIKey of 5-chloro-3,6-difluoropyridin-2-amine?
The InChIKey is ZJBWTBQUJBHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10).
What are the key properties of 5-chloro-3,6-difluoropyridin-2-amine?
5-chloro-3,6-difluoropyridin-2-amine has a molecular weight of 164.54 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-difluoropyridin-2-amine is sourced from PubChem (CID 22121247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).