5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde

C11H9NOS — CID 107586185

IUPAC5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
SMILESCc1cncc(-c2ccc(C=O)s2)c1
InChIInChI=1S/C11H9NOS/c1-8-4-9(6-12-5-8)11-3-2-10(7-13)14-11/h2-7H,1H3
InChIKeyLAHGGJXLCZOOJR-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.93
Rot. Bonds2

About 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde

5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde (PubChem CID 107586185) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
PubChem CID107586185
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
SMILESCc1cncc(-c2ccc(C=O)s2)c1
InChIInChI=1S/C11H9NOS/c1-8-4-9(6-12-5-8)11-3-2-10(7-13)14-11/h2-7H,1H3
InChIKeyLAHGGJXLCZOOJR-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
CID 141257890
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193
5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde
CID 122502665
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
CID 82478736
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde
CID 178134036
2-amino-5-(5-formylthiophen-2-yl)pyridine-3-carboxylic acid
CID 53222985

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde (CID 107586185) is 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde is Cc1cncc(-c2ccc(C=O)s2)c1.
What is the InChIKey of 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde?
The InChIKey is LAHGGJXLCZOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-4-9(6-12-5-8)11-3-2-10(7-13)14-11/h2-7H,1H3.
What are the key properties of 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde?
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 107586185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).