(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid

C7H6BrClO3S — CID 125424978

IUPAC(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)Cc1cc(Br)c(Cl)s1
InChIInChI=1S/C7H6BrClO3S/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5,10H,2H2,(H,11,12)/t5-/m1/s1
InChIKeyBJPWMLGWGCBSGY-RXMQYKEDSA-N
MW285.55 g/mol
LogP2.15
Rot. Bonds3

About (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid

(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid (PubChem CID 125424978) has the molecular formula C7H6BrClO3S and a molecular weight of 285.55 g/mol. Its IUPAC name is (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid
PubChem CID125424978
Molecular FormulaC7H6BrClO3S
Molecular Weight285.55 g/mol
Exact Mass283.89
IUPAC Name(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)Cc1cc(Br)c(Cl)s1
InChIInChI=1S/C7H6BrClO3S/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5,10H,2H2,(H,11,12)/t5-/m1/s1
InChIKeyBJPWMLGWGCBSGY-RXMQYKEDSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
CID 102841274
2-[(4-bromo-5-chlorothiophen-2-yl)methyl-methylamino]propanoic acid
CID 102845011
2-[(4-bromo-5-chlorothiophen-2-yl)methyl-methylamino]acetic acid
CID 102844923
3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid
CID 165493154
3-(4-bromo-5-chlorothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 102841304
(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanoic acid
CID 142778160
2-[N-[(4-bromo-5-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 102844970
3-[(4-bromo-5-chlorothiophen-2-yl)methyl-ethylamino]propanoic acid
CID 102845004
2-[(4-bromo-5-chlorothiophen-2-yl)methyl-prop-2-ynylamino]acetic acid
CID 102845170
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid (CID 125424978) is (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid is O=C(O)[C@H](O)Cc1cc(Br)c(Cl)s1.
What is the InChIKey of (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid?
The InChIKey is BJPWMLGWGCBSGY-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H6BrClO3S/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5,10H,2H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid?
(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid has a molecular weight of 285.55 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 125424978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).