4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine

C10H8ClN3O2S — CID 86602591

IUPAC4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(-c2cccnc2Cl)n1
InChIInChI=1S/C10H8ClN3O2S/c1-17(15,16)10-13-6-4-8(14-10)7-3-2-5-12-9(7)11/h2-6H,1H3
InChIKeyJCEWCTSUZYEWPQ-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.60
Rot. Bonds2

About 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine

4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine (PubChem CID 86602591) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
PubChem CID86602591
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(-c2cccnc2Cl)n1
InChIInChI=1S/C10H8ClN3O2S/c1-17(15,16)10-13-6-4-8(14-10)7-3-2-5-12-9(7)11/h2-6H,1H3
InChIKeyJCEWCTSUZYEWPQ-UHFFFAOYSA-N
XLogP1.60
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine (CID 86602591) is 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nccc(-c2cccnc2Cl)n1.
What is the InChIKey of 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine?
The InChIKey is JCEWCTSUZYEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-17(15,16)10-13-6-4-8(14-10)7-3-2-5-12-9(7)11/h2-6H,1H3.
What are the key properties of 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine?
4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine has a molecular weight of 269.71 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 86602591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).