3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid

C12H10ClNO3S — CID 83034408

IUPAC3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1cc(Cl)ccc1-c1cc(N)c(C(=O)O)s1
InChIInChI=1S/C12H10ClNO3S/c1-17-9-4-6(13)2-3-7(9)10-5-8(14)11(18-10)12(15)16/h2-5H,14H2,1H3,(H,15,16)
InChIKeyLBYPPNNPQKBGMD-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.36
Rot. Bonds3

About 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid

3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid (PubChem CID 83034408) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
PubChem CID83034408
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1cc(Cl)ccc1-c1cc(N)c(C(=O)O)s1
InChIInChI=1S/C12H10ClNO3S/c1-17-9-4-6(13)2-3-7(9)10-5-8(14)11(18-10)12(15)16/h2-5H,14H2,1H3,(H,15,16)
InChIKeyLBYPPNNPQKBGMD-UHFFFAOYSA-N
XLogP3.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(2-methoxy-4-nitrophenyl)thiophene-2-carboxylic acid
CID 104783573
3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
CID 107989286
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid
CID 83034669
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559
3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
CID 83035353
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
CID 82302278
3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 83035354
3-amino-5-(5-bromo-2-fluorophenyl)thiophene-2-carboxylic acid
CID 83035554
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
CID 83034927
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
2-(4-chloro-2-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470129

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid (CID 83034408) is 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid is COc1cc(Cl)ccc1-c1cc(N)c(C(=O)O)s1.
What is the InChIKey of 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is LBYPPNNPQKBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-17-9-4-6(13)2-3-7(9)10-5-8(14)11(18-10)12(15)16/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid?
3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83034408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).