methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate

C13H10N2O2S — CID 20885066

IUPACmethyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnccc2c1-n1cccc1
InChIInChI=1S/C13H10N2O2S/c1-17-13(16)12-11(15-6-2-3-7-15)9-4-5-14-8-10(9)18-12/h2-8H,1H3
InChIKeyOPCPRVONCOYAEB-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.87
Rot. Bonds2

About methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate

methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate (PubChem CID 20885066) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate
PubChem CID20885066
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Namemethyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cnccc2c1-n1cccc1
InChIInChI=1S/C13H10N2O2S/c1-17-13(16)12-11(15-6-2-3-7-15)9-4-5-14-8-10(9)18-12/h2-8H,1H3
InChIKeyOPCPRVONCOYAEB-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 130058404
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
3-methylthieno[2,3-c]pyridine-2-carboxamide
CID 141171273
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577899
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-fluorothieno[2,3-c]pyridine-2-carboxamide
CID 144584123
3-amino-N-(1-methylpyrazol-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289415
dimethyl 2-benzothiophene-1,3-dicarboxylate
CID 24977408
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585
methyl 4-chloro-2-(isoquinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 60845100

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate (CID 20885066) is methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1sc2cnccc2c1-n1cccc1.
What is the InChIKey of methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is OPCPRVONCOYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-13(16)12-11(15-6-2-3-7-15)9-4-5-14-8-10(9)18-12/h2-8H,1H3.
What are the key properties of methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate?
methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrol-1-ylthieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 20885066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).