3-chloro-2,6-difluoropyridin-4-amine

C5H3ClF2N2 — CID 22284019

IUPAC3-chloro-2,6-difluoropyridin-4-amine
SMILESNc1cc(F)nc(F)c1Cl
InChIInChI=1S/C5H3ClF2N2/c6-4-2(9)1-3(7)10-5(4)8/h1H,(H2,9,10)
InChIKeyPQARVFBBRZLDTQ-UHFFFAOYSA-N
MW164.54 g/mol
LogP1.60
Rot. Bonds

About 3-chloro-2,6-difluoropyridin-4-amine

3-chloro-2,6-difluoropyridin-4-amine (PubChem CID 22284019) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 3-chloro-2,6-difluoropyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2,6-difluoropyridin-4-amine
PubChem CID22284019
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name3-chloro-2,6-difluoropyridin-4-amine
SMILESNc1cc(F)nc(F)c1Cl
InChIInChI=1S/C5H3ClF2N2/c6-4-2(9)1-3(7)10-5(4)8/h1H,(H2,9,10)
InChIKeyPQARVFBBRZLDTQ-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 3-chloro-2,6-difluoropyridin-4-amine?
The IUPAC name of 3-chloro-2,6-difluoropyridin-4-amine (CID 22284019) is 3-chloro-2,6-difluoropyridin-4-amine.
What is the SMILES notation for 3-chloro-2,6-difluoropyridin-4-amine?
The canonical SMILES for 3-chloro-2,6-difluoropyridin-4-amine is Nc1cc(F)nc(F)c1Cl.
What is the InChIKey of 3-chloro-2,6-difluoropyridin-4-amine?
The InChIKey is PQARVFBBRZLDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2/c6-4-2(9)1-3(7)10-5(4)8/h1H,(H2,9,10).
What are the key properties of 3-chloro-2,6-difluoropyridin-4-amine?
3-chloro-2,6-difluoropyridin-4-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 3-chloro-2,6-difluoropyridin-4-amine is sourced from PubChem (CID 22284019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).