3-chloro-2,5,6-trifluoropyridin-4-amine

C5H2ClF3N2 — CID 3488144

IUPAC3-chloro-2,5,6-trifluoropyridin-4-amine
SMILESNc1c(F)c(F)nc(F)c1Cl
InChIInChI=1S/C5H2ClF3N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKeyIJGMBUFHHBUVNG-UHFFFAOYSA-N
MW182.53 g/mol
LogP1.73
Rot. Bonds

About 3-chloro-2,5,6-trifluoropyridin-4-amine

3-chloro-2,5,6-trifluoropyridin-4-amine (PubChem CID 3488144) has the molecular formula C5H2ClF3N2 and a molecular weight of 182.53 g/mol. Its IUPAC name is 3-chloro-2,5,6-trifluoropyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2,5,6-trifluoropyridin-4-amine
PubChem CID3488144
Molecular FormulaC5H2ClF3N2
Molecular Weight182.53 g/mol
Exact Mass181.99
IUPAC Name3-chloro-2,5,6-trifluoropyridin-4-amine
SMILESNc1c(F)c(F)nc(F)c1Cl
InChIInChI=1S/C5H2ClF3N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKeyIJGMBUFHHBUVNG-UHFFFAOYSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.53
LogP ≤ 51.73
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-2,5,6-trifluoropyridin-4-amine?
The IUPAC name of 3-chloro-2,5,6-trifluoropyridin-4-amine (CID 3488144) is 3-chloro-2,5,6-trifluoropyridin-4-amine.
What is the SMILES notation for 3-chloro-2,5,6-trifluoropyridin-4-amine?
The canonical SMILES for 3-chloro-2,5,6-trifluoropyridin-4-amine is Nc1c(F)c(F)nc(F)c1Cl.
What is the InChIKey of 3-chloro-2,5,6-trifluoropyridin-4-amine?
The InChIKey is IJGMBUFHHBUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11).
What are the key properties of 3-chloro-2,5,6-trifluoropyridin-4-amine?
3-chloro-2,5,6-trifluoropyridin-4-amine has a molecular weight of 182.53 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,6-trifluoropyridin-4-amine is sourced from PubChem (CID 3488144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).