methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate

C13H9Cl2NO2S — CID 1476824

IUPACmethyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Sc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C13H9Cl2NO2S/c1-18-13(17)10-7-8(5-6-16-10)19-11-4-2-3-9(14)12(11)15/h2-7H,1H3
InChIKeyQFVCVZNMGLAFNJ-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.33
Rot. Bonds3

About methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate

methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate (PubChem CID 1476824) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate
PubChem CID1476824
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Namemethyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Sc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C13H9Cl2NO2S/c1-18-13(17)10-7-8(5-6-16-10)19-11-4-2-3-9(14)12(11)15/h2-7H,1H3
InChIKeyQFVCVZNMGLAFNJ-UHFFFAOYSA-N
XLogP4.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-(methylsulfanyl)-2-pyridinecarboxylate
CID 901956
2-Pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester
CID 3304102
Methyl 4-[(2,6-dichlorophenyl)sulfanyl]-2-pyridinecarboxylate
CID 1476825
Methyl 4-Chloropicolinate
CID 820890
4-Chloropyridine-2-carboxylic acid ethyl ester
CID 13015359
Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)
CID 16655470
Methyl 4,5-dichloropyridine-2-carboxylate
CID 84071064
5-(3-Chlorophenyl)sulfanylpyridine-2-carboxylic acid
CID 12457897
Sodium 5-[(3,4-dichlorophenyl)methylsulfanyl]pyridine-2-carboxylate
CID 23711151
Sodium 5-(4-chlorophenyl)sulfanylpyridine-2-carboxylate
CID 23711158
Methyl 4-(benzenesulfonyl)pyridine-2-carboxylate
CID 135040652
5-(4-Chlorophenyl)sulfanylpyridine-2-carboxylic acid
CID 12457884

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate?
The IUPAC name of methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate (CID 1476824) is methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate is COC(=O)c1cc(Sc2cccc(Cl)c2Cl)ccn1.
What is the InChIKey of methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate?
The InChIKey is QFVCVZNMGLAFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c1-18-13(17)10-7-8(5-6-16-10)19-11-4-2-3-9(14)12(11)15/h2-7H,1H3.
What are the key properties of methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate?
methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate has a molecular weight of 314.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dichlorophenyl)sulfanylpyridine-2-carboxylate is sourced from PubChem (CID 1476824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).