2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid

C14H12ClNO3S — CID 143006236

IUPAC2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid
SMILESCc1ccc(Sc2cc(Cl)ccc2OCC(=O)O)nc1
InChIInChI=1S/C14H12ClNO3S/c1-9-2-5-13(16-7-9)20-12-6-10(15)3-4-11(12)19-8-14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQLERMQPIBNTMPG-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid

2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid (PubChem CID 143006236) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid
PubChem CID143006236
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid
SMILESCc1ccc(Sc2cc(Cl)ccc2OCC(=O)O)nc1
InChIInChI=1S/C14H12ClNO3S/c1-9-2-5-13(16-7-9)20-12-6-10(15)3-4-11(12)19-8-14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQLERMQPIBNTMPG-UHFFFAOYSA-N
XLogP3.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(2-methylsulfonylphenyl)sulfanylphenoxy]acetic acid
CID 11773171
6-(2,5-dichlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 29035627
2-[4-chloro-2-(1-chloroethyl)phenoxy]acetic acid
CID 68981824
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
2-[4-chloro-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]phenoxy]acetic acid
CID 46865878
4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863746

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid (CID 143006236) is 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid is Cc1ccc(Sc2cc(Cl)ccc2OCC(=O)O)nc1.
What is the InChIKey of 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid?
The InChIKey is QLERMQPIBNTMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-9-2-5-13(16-7-9)20-12-6-10(15)3-4-11(12)19-8-14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid?
2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid has a molecular weight of 309.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid is sourced from PubChem (CID 143006236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).