3,4,5,6-tetrachloropyridin-1-ium-2-amine

C5H3Cl4N2+ — CID 7164503

IUPAC3,4,5,6-tetrachloropyridin-1-ium-2-amine
SMILESNc1[nH+]c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)11-5(10)3(1)8/h(H2,10,11)/p+1
InChIKeyUNFHNOMCUBAGRI-UHFFFAOYSA-O
MW232.91 g/mol
LogP2.70
Rot. Bonds

About 3,4,5,6-tetrachloropyridin-1-ium-2-amine

3,4,5,6-tetrachloropyridin-1-ium-2-amine (PubChem CID 7164503) has the molecular formula C5H3Cl4N2+ and a molecular weight of 232.91 g/mol. Its IUPAC name is 3,4,5,6-tetrachloropyridin-1-ium-2-amine.

Molecular Properties

Compound Name3,4,5,6-tetrachloropyridin-1-ium-2-amine
PubChem CID7164503
Molecular FormulaC5H3Cl4N2+
Molecular Weight232.91 g/mol
Exact Mass230.90
IUPAC Name3,4,5,6-tetrachloropyridin-1-ium-2-amine
SMILESNc1[nH+]c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)11-5(10)3(1)8/h(H2,10,11)/p+1
InChIKeyUNFHNOMCUBAGRI-UHFFFAOYSA-O
XLogP2.70
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.91
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,4,5,6-tetrachloropyridin-1-ium-2-amine?
The IUPAC name of 3,4,5,6-tetrachloropyridin-1-ium-2-amine (CID 7164503) is 3,4,5,6-tetrachloropyridin-1-ium-2-amine.
What is the SMILES notation for 3,4,5,6-tetrachloropyridin-1-ium-2-amine?
The canonical SMILES for 3,4,5,6-tetrachloropyridin-1-ium-2-amine is Nc1[nH+]c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5,6-tetrachloropyridin-1-ium-2-amine?
The InChIKey is UNFHNOMCUBAGRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)11-5(10)3(1)8/h(H2,10,11)/p+1.
What are the key properties of 3,4,5,6-tetrachloropyridin-1-ium-2-amine?
3,4,5,6-tetrachloropyridin-1-ium-2-amine has a molecular weight of 232.91 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloropyridin-1-ium-2-amine is sourced from PubChem (CID 7164503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).