4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine

C11H10FN3O2S — CID 153323943

IUPAC4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine
SMILESCS(=O)(=O)c1nc(CF)cc(-c2ccccn2)n1
InChIInChI=1S/C11H10FN3O2S/c1-18(16,17)11-14-8(7-12)6-10(15-11)9-4-2-3-5-13-9/h2-6H,7H2,1H3
InChIKeyIAEVQRYQMBZJLZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.41
Rot. Bonds3

About 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine

4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine (PubChem CID 153323943) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine
PubChem CID153323943
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC Name4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine
SMILESCS(=O)(=O)c1nc(CF)cc(-c2ccccn2)n1
InChIInChI=1S/C11H10FN3O2S/c1-18(16,17)11-14-8(7-12)6-10(15-11)9-4-2-3-5-13-9/h2-6H,7H2,1H3
InChIKeyIAEVQRYQMBZJLZ-UHFFFAOYSA-N
XLogP1.41
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine (CID 153323943) is 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine is CS(=O)(=O)c1nc(CF)cc(-c2ccccn2)n1.
What is the InChIKey of 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine?
The InChIKey is IAEVQRYQMBZJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-18(16,17)11-14-8(7-12)6-10(15-11)9-4-2-3-5-13-9/h2-6H,7H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine?
4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine has a molecular weight of 267.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methylsulfonyl-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 153323943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).