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

C15H14FNOS — CID 55010524

IUPAC3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
SMILESCC1c2ccsc2CCN1c1ccc(C=O)cc1F
InChIInChI=1S/C15H14FNOS/c1-10-12-5-7-19-15(12)4-6-17(10)14-3-2-11(9-18)8-13(14)16/h2-3,5,7-10H,4,6H2,1H3
InChIKeyAMJMKVDANCUWQI-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.82
Rot. Bonds2

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

3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde (PubChem CID 55010524) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
PubChem CID55010524
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
SMILESCC1c2ccsc2CCN1c1ccc(C=O)cc1F
InChIInChI=1S/C15H14FNOS/c1-10-12-5-7-19-15(12)4-6-17(10)14-3-2-11(9-18)8-13(14)16/h2-3,5,7-10H,4,6H2,1H3
InChIKeyAMJMKVDANCUWQI-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.82
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 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
The IUPAC name of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde (CID 55010524) is 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde is CC1c2ccsc2CCN1c1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
The InChIKey is AMJMKVDANCUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-12-5-7-19-15(12)4-6-17(10)14-3-2-11(9-18)8-13(14)16/h2-3,5,7-10H,4,6H2,1H3.
What are the key properties of 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde?
3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde has a molecular weight of 275.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde is sourced from PubChem (CID 55010524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).