methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate

C9H7ClN2O2S — CID 18796869

IUPACmethyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnc(Cl)cc2c1N
InChIInChI=1S/C9H7ClN2O2S/c1-14-9(13)8-7(11)4-2-6(10)12-3-5(4)15-8/h2-3H,11H2,1H3
InChIKeyMGIMIQXKAUTOBO-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.32
Rot. Bonds1

About methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate

methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 18796869) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate
PubChem CID18796869
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Namemethyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnc(Cl)cc2c1N
InChIInChI=1S/C9H7ClN2O2S/c1-14-9(13)8-7(11)4-2-6(10)12-3-5(4)15-8/h2-3H,11H2,1H3
InChIKeyMGIMIQXKAUTOBO-UHFFFAOYSA-N
XLogP2.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate
CID 129175018
methyl 3-amino-5-(dimethylcarbamoyl)-1-benzothiophene-2-carboxylate
CID 10588651
5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid
CID 129175014
methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 130058404
methyl 5-[acetyl(methyl)amino]-3-amino-1-benzothiophene-2-carboxylate
CID 23353227
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063
methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
CID 155547827
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate (CID 18796869) is methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1sc2cnc(Cl)cc2c1N.
What is the InChIKey of methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is MGIMIQXKAUTOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-14-9(13)8-7(11)4-2-6(10)12-3-5(4)15-8/h2-3H,11H2,1H3.
What are the key properties of methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate?
methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 242.69 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-chlorothieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 18796869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).