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

C9H7ClN2O2S — CID 18796854

IUPACmethyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncc(Cl)cc2c1N
InChIInChI=1S/C9H7ClN2O2S/c1-14-9(13)7-6(11)5-2-4(10)3-12-8(5)15-7/h2-3H,11H2,1H3
InChIKeyMYIRHUDLKCQFNV-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.32
Rot. Bonds1

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

methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 18796854) 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-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate
PubChem CID18796854
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Namemethyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncc(Cl)cc2c1N
InChIInChI=1S/C9H7ClN2O2S/c1-14-9(13)7-6(11)5-2-4(10)3-12-8(5)15-7/h2-3H,11H2,1H3
InChIKeyMYIRHUDLKCQFNV-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

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Related Compounds

Ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate
CID 2831728
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylate
CID 2820896
Methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 973731
Ethyl 4-(dimethylamino)-3-{[(methoxyimino)methyl]amino}thieno[2,3-b]pyridine-2-carboxylate
CID 2765718
Ethyl 3-[({[(2-chloro-6-fluorobenzyl)oxy]imino}methyl)amino]-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 2765719
Methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 25261815
methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 16011742
Ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate
CID 2765713

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate (CID 18796854) is methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncc(Cl)cc2c1N.
What is the InChIKey of methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is MYIRHUDLKCQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-14-9(13)7-6(11)5-2-4(10)3-12-8(5)15-7/h2-3H,11H2,1H3.
What are the key properties of methyl 3-amino-5-chlorothieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-5-chlorothieno[2,3-b]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-b]pyridine-2-carboxylate is sourced from PubChem (CID 18796854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).