4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine

C13H12ClNO3S — CID 79244238

IUPAC4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
SMILESCS(=O)(=O)c1cccc(OCc2cc(Cl)ccn2)c1
InChIInChI=1S/C13H12ClNO3S/c1-19(16,17)13-4-2-3-12(8-13)18-9-11-7-10(14)5-6-15-11/h2-8H,9H2,1H3
InChIKeyNZNUDQQXRFDPEQ-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine

4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine (PubChem CID 79244238) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
PubChem CID79244238
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
SMILESCS(=O)(=O)c1cccc(OCc2cc(Cl)ccn2)c1
InChIInChI=1S/C13H12ClNO3S/c1-19(16,17)13-4-2-3-12(8-13)18-9-11-7-10(14)5-6-15-11/h2-8H,9H2,1H3
InChIKeyNZNUDQQXRFDPEQ-UHFFFAOYSA-N
XLogP2.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259849
3-chloro-2-[(3-methylsulfonylphenoxy)methyl]aniline
CID 63746458
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62885480
4-[(3-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43806800
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
4-[(4-chloro-2-pyridinyl)methoxy]aniline
CID 79244468
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine?
The IUPAC name of 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine (CID 79244238) is 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine?
The canonical SMILES for 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine is CS(=O)(=O)c1cccc(OCc2cc(Cl)ccn2)c1.
What is the InChIKey of 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine?
The InChIKey is NZNUDQQXRFDPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-19(16,17)13-4-2-3-12(8-13)18-9-11-7-10(14)5-6-15-11/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine?
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine has a molecular weight of 297.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine is sourced from PubChem (CID 79244238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).