5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid

C10H12Cl2O2S — CID 62932967

IUPAC5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid
SMILESCC(CCc1cc(Cl)sc1Cl)CC(=O)O
InChIInChI=1S/C10H12Cl2O2S/c1-6(4-9(13)14)2-3-7-5-8(11)15-10(7)12/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyFFLNEDPRXYEHJJ-UHFFFAOYSA-N
MW267.18 g/mol
LogP4.10
Rot. Bonds5

About 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid

5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid (PubChem CID 62932967) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid
PubChem CID62932967
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid
SMILESCC(CCc1cc(Cl)sc1Cl)CC(=O)O
InChIInChI=1S/C10H12Cl2O2S/c1-6(4-9(13)14)2-3-7-5-8(11)15-10(7)12/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyFFLNEDPRXYEHJJ-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119368098
5-(2,4-difluoro-5-methylphenyl)-3-methylpentanoic acid
CID 79731840
2-(5-chloro-2-methylthiophen-3-yl)acetic acid
CID 82656179
5-[5-(aminomethyl)thiophen-2-yl]-3-methylpentanoic acid;hydrochloride
CID 44827843
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-methylbutanoic acid
CID 115220002
2-[(2,5-dichlorothiophene-3-carbonyl)amino]butanedioic acid
CID 114020996
strontium;hydride;3-methylpentanedioic acid
CID 173490798
2-[(2,5-dichlorothiophen-3-yl)methyl-propylamino]acetic acid
CID 122039983
5-(5-chloro-4-methylthiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid
CID 102764325
5-amino-5-(4-bromo-5-chlorothiophen-2-yl)-3-methylpentanoic acid
CID 102828955
5-(3-aminothiophen-2-yl)-3-methylpentanoic acid;hydrochloride
CID 53297739

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid (CID 62932967) is 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid is CC(CCc1cc(Cl)sc1Cl)CC(=O)O.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid?
The InChIKey is FFLNEDPRXYEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c1-6(4-9(13)14)2-3-7-5-8(11)15-10(7)12/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid?
5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid has a molecular weight of 267.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-3-methylpentanoic acid is sourced from PubChem (CID 62932967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).