2,3,5-trichloropyridin-4-amine

C5H3Cl3N2 — CID 728676

IUPAC2,3,5-trichloropyridin-4-amine
SMILESNc1c(Cl)cnc(Cl)c1Cl
InChIInChI=1S/C5H3Cl3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKeyYYJDUYUWQJWYNA-UHFFFAOYSA-N
MW197.45 g/mol
LogP2.62
Rot. Bonds

About 2,3,5-trichloropyridin-4-amine

2,3,5-trichloropyridin-4-amine (PubChem CID 728676) has the molecular formula C5H3Cl3N2 and a molecular weight of 197.45 g/mol. Its IUPAC name is 2,3,5-trichloropyridin-4-amine.

Molecular Properties

Compound Name2,3,5-trichloropyridin-4-amine
PubChem CID728676
Molecular FormulaC5H3Cl3N2
Molecular Weight197.45 g/mol
Exact Mass195.94
IUPAC Name2,3,5-trichloropyridin-4-amine
SMILESNc1c(Cl)cnc(Cl)c1Cl
InChIInChI=1S/C5H3Cl3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKeyYYJDUYUWQJWYNA-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.45
LogP ≤ 52.62
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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Related Compounds

CID 16988
CID 16988
CID 581853
CID 581853
CID 17153
CID 17153
CID 27666
CID 27666
CID 89888
CID 89888
CID 139739
CID 139739
CID 70990
CID 70990
CID 84432
CID 84432
CID 76051
CID 76051
CID 2799984
CID 2799984
CID 285736
CID 285736
CID 1556893
CID 1556893

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloropyridin-4-amine?
The IUPAC name of 2,3,5-trichloropyridin-4-amine (CID 728676) is 2,3,5-trichloropyridin-4-amine.
What is the SMILES notation for 2,3,5-trichloropyridin-4-amine?
The canonical SMILES for 2,3,5-trichloropyridin-4-amine is Nc1c(Cl)cnc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloropyridin-4-amine?
The InChIKey is YYJDUYUWQJWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10).
What are the key properties of 2,3,5-trichloropyridin-4-amine?
2,3,5-trichloropyridin-4-amine has a molecular weight of 197.45 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloropyridin-4-amine is sourced from PubChem (CID 728676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).