3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine

C14H13ClFNO3S — CID 173380014

IUPAC3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine
SMILESCCOc1ccc(Cl)c(F)c1-c1cncc(S(C)(=O)=O)c1
InChIInChI=1S/C14H13ClFNO3S/c1-3-20-12-5-4-11(15)14(16)13(12)9-6-10(8-17-7-9)21(2,18)19/h4-8H,3H2,1-2H3
InChIKeyLCEMZLAWADVCCH-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.34
Rot. Bonds4

About 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine

3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine (PubChem CID 173380014) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine
PubChem CID173380014
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine
SMILESCCOc1ccc(Cl)c(F)c1-c1cncc(S(C)(=O)=O)c1
InChIInChI=1S/C14H13ClFNO3S/c1-3-20-12-5-4-11(15)14(16)13(12)9-6-10(8-17-7-9)21(2,18)19/h4-8H,3H2,1-2H3
InChIKeyLCEMZLAWADVCCH-UHFFFAOYSA-N
XLogP3.34
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mdl 20610
CID 128209
2H-Pyrano(2,3-b)pyridine, 2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylsulfinyl)-
CID 514902
2H-Pyrano(2,3-b)pyridine, 2-(4-chlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-
CID 514903
(4-Chloro-2-{[5-(methylsulfonyl)pyridin-3-yl]ethynyl}phenoxy)acetic acid
CID 56595046
12-Chloro-4-ethylsulfonyl-23-methyl-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137754
12-Chloro-23-methyl-4-(methylsulfonylmethyl)-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137765
2-(4-Chloro-benzyloxy)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-pyridine
CID 44292819
6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide
CID 4788833
(S)-3-(4-chloro-2-tolyloxy)-1-(2-pyridylthio)-2-propanol
CID 42108823
3-Chloro-2-[2-(methylsulfonyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 1473931
4-[(5-chloro-3-pyridinyl)sulfonyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 75388842
2-[1-[5-Chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethylsulfanyl]-4-methyl-1-oxidopyridin-1-ium
CID 13477847

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine?
The IUPAC name of 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine (CID 173380014) is 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine.
What is the SMILES notation for 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine?
The canonical SMILES for 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine is CCOc1ccc(Cl)c(F)c1-c1cncc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine?
The InChIKey is LCEMZLAWADVCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-3-20-12-5-4-11(15)14(16)13(12)9-6-10(8-17-7-9)21(2,18)19/h4-8H,3H2,1-2H3.
What are the key properties of 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine?
3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine has a molecular weight of 329.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine is sourced from PubChem (CID 173380014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).