5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde

C15H14ClNOS — CID 114844191

IUPAC5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
SMILESCC1c2ccsc2CCN1c1ccc(Cl)cc1C=O
InChIInChI=1S/C15H14ClNOS/c1-10-13-5-7-19-15(13)4-6-17(10)14-3-2-12(16)8-11(14)9-18/h2-3,5,7-10H,4,6H2,1H3
InChIKeyGHOXSDDXFUBMLN-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.34
Rot. Bonds2

About 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde

5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde (PubChem CID 114844191) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
PubChem CID114844191
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
SMILESCC1c2ccsc2CCN1c1ccc(Cl)cc1C=O
InChIInChI=1S/C15H14ClNOS/c1-10-13-5-7-19-15(13)4-6-17(10)14-3-2-12(16)8-11(14)9-18/h2-3,5,7-10H,4,6H2,1H3
InChIKeyGHOXSDDXFUBMLN-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde (CID 114844191) is 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde is CC1c2ccsc2CCN1c1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
The InChIKey is GHOXSDDXFUBMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-10-13-5-7-19-15(13)4-6-17(10)14-3-2-12(16)8-11(14)9-18/h2-3,5,7-10H,4,6H2,1H3.
What are the key properties of 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde has a molecular weight of 291.80 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde is sourced from PubChem (CID 114844191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).