methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate

C13H15NO3S — CID 174335075

IUPACmethyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CC1Sc2ncccc2C1C=O
InChIInChI=1S/C13H15NO3S/c1-8(13(16)17-2)6-11-10(7-15)9-4-3-5-14-12(9)18-11/h3-5,7-8,10-11H,6H2,1-2H3
InChIKeyYTRYMSHEQWZNPM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.04
Rot. Bonds4

About methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate

methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate (PubChem CID 174335075) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate
PubChem CID174335075
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Namemethyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CC1Sc2ncccc2C1C=O
InChIInChI=1S/C13H15NO3S/c1-8(13(16)17-2)6-11-10(7-15)9-4-3-5-14-12(9)18-11/h3-5,7-8,10-11H,6H2,1-2H3
InChIKeyYTRYMSHEQWZNPM-UHFFFAOYSA-N
XLogP2.04
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl 3-[(3-carbamoyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 66112894
methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate
CID 113370707
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate
CID 164705552
methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate
CID 66115358
N-(3-methoxy-2-methyl-3-oxopropyl)-1-pyridin-2-ylmethanimine oxide
CID 134997986
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate (CID 174335075) is methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate is COC(=O)C(C)CC1Sc2ncccc2C1C=O.
What is the InChIKey of methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate?
The InChIKey is YTRYMSHEQWZNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-8(13(16)17-2)6-11-10(7-15)9-4-3-5-14-12(9)18-11/h3-5,7-8,10-11H,6H2,1-2H3.
What are the key properties of methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate?
methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate has a molecular weight of 265.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate is sourced from PubChem (CID 174335075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).