2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride

C10H8Cl3N3O2S — CID 159236078

IUPAC2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride
SMILESNc1ccnc(Cl)c1.O=S(=O)(Cl)c1ccnc(Cl)c1
InChIInChI=1S/C5H3Cl2NO2S.C5H5ClN2/c6-5-3-4(1-2-8-5)11(7,9)10;6-5-3-4(7)1-2-8-5/h1-3H;1-3H,(H2,7,8)
InChIKeyKTMIELQZVFJDQS-UHFFFAOYSA-N
MW340.62 g/mol
LogP2.98
Rot. Bonds1

About 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride

2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride (PubChem CID 159236078) has the molecular formula C10H8Cl3N3O2S and a molecular weight of 340.62 g/mol. Its IUPAC name is 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride
PubChem CID159236078
Molecular FormulaC10H8Cl3N3O2S
Molecular Weight340.62 g/mol
Exact Mass338.94
IUPAC Name2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride
SMILESNc1ccnc(Cl)c1.O=S(=O)(Cl)c1ccnc(Cl)c1
InChIInChI=1S/C5H3Cl2NO2S.C5H5ClN2/c6-5-3-4(1-2-8-5)11(7,9)10;6-5-3-4(7)1-2-8-5/h1-3H;1-3H,(H2,7,8)
InChIKeyKTMIELQZVFJDQS-UHFFFAOYSA-N
XLogP2.98
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.62
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride?
The IUPAC name of 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride (CID 159236078) is 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride?
The canonical SMILES for 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride is Nc1ccnc(Cl)c1.O=S(=O)(Cl)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride?
The InChIKey is KTMIELQZVFJDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO2S.C5H5ClN2/c6-5-3-4(1-2-8-5)11(7,9)10;6-5-3-4(7)1-2-8-5/h1-3H;1-3H,(H2,7,8).
What are the key properties of 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride?
2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride has a molecular weight of 340.62 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridin-4-amine;2-chloropyridine-4-sulfonyl chloride is sourced from PubChem (CID 159236078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).