2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine

C12H9ClFNO2S — CID 47038670

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1Cl)c1ccccn1
InChIInChI=1S/C12H9ClFNO2S/c13-11-7-10(14)5-4-9(11)8-18(16,17)12-3-1-2-6-15-12/h1-7H,8H2
InChIKeyNXLANYBAQZYBHH-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.85
Rot. Bonds3

About 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine

2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine (PubChem CID 47038670) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine
PubChem CID47038670
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1Cl)c1ccccn1
InChIInChI=1S/C12H9ClFNO2S/c13-11-7-10(14)5-4-9(11)8-18(16,17)12-3-1-2-6-15-12/h1-7H,8H2
InChIKeyNXLANYBAQZYBHH-UHFFFAOYSA-N
XLogP2.85
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
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CID 54090294
2-chloro-1-(chloromethyl)-4-fluorobenzene;(2-chloro-4-fluorophenyl)methanesulfonyl chloride
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(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
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N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
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2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-4-methylaniline
CID 81182884
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
2-[(5-bromo-2-methoxyphenyl)methylsulfonyl]pyridine
CID 71917731
2-chloro-4-fluoro-1-[(2-propan-2-yloxyphenyl)methylsulfonylmethyl]benzene
CID 87024513
4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
CID 115684180
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine (CID 47038670) is 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine is O=S(=O)(Cc1ccc(F)cc1Cl)c1ccccn1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine?
The InChIKey is NXLANYBAQZYBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-11-7-10(14)5-4-9(11)8-18(16,17)12-3-1-2-6-15-12/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine?
2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine has a molecular weight of 285.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine is sourced from PubChem (CID 47038670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).