5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde

C11H8ClNOS — CID 178134036

IUPAC5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde
SMILESCc1cnc(-c2ccc(C=O)s2)cc1Cl
InChIInChI=1S/C11H8ClNOS/c1-7-5-13-10(4-9(7)12)11-3-2-8(6-14)15-11/h2-6H,1H3
InChIKeyAZUKHZIWTONEBP-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.58
Rot. Bonds2

About 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde

5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde (PubChem CID 178134036) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde
PubChem CID178134036
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde
SMILESCc1cnc(-c2ccc(C=O)s2)cc1Cl
InChIInChI=1S/C11H8ClNOS/c1-7-5-13-10(4-9(7)12)11-3-2-8(6-14)15-11/h2-6H,1H3
InChIKeyAZUKHZIWTONEBP-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.58
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

5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
CID 82478736
5-(5-chloro-3-hydroxy-2-pyridinyl)thiophene-2-carbaldehyde
CID 125454377
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-carbaldehyde
CID 65475120
5-(5-fluoro-2-methylphenyl)thiophene-2-carbaldehyde
CID 43153940
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 103586904
5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
CID 25247619
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
CID 122242400

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde (CID 178134036) is 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde is Cc1cnc(-c2ccc(C=O)s2)cc1Cl.
What is the InChIKey of 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde?
The InChIKey is AZUKHZIWTONEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-5-13-10(4-9(7)12)11-3-2-8(6-14)15-11/h2-6H,1H3.
What are the key properties of 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde?
5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde has a molecular weight of 237.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 178134036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).