4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde

C24H20FNO4 — CID 168740777

IUPAC4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde
SMILESCc1cc([C@@H](Oc2cc3c(cc2F)C(=O)CCO3)c2ccc(C=O)cc2)cc(C)n1
InChIInChI=1S/C24H20FNO4/c1-14-9-18(10-15(2)26-14)24(17-5-3-16(13-27)4-6-17)30-23-12-22-19(11-20(23)25)21(28)7-8-29-22/h3-6,9-13,24H,7-8H2,1-2H3/t24-/m0/s1
InChIKeyDHQLPQBIOOUGGX-DEOSSOPVSA-N
MW405.43 g/mol
LogP4.78
Rot. Bonds5

About 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde

4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde (PubChem CID 168740777) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde
PubChem CID168740777
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde
SMILESCc1cc([C@@H](Oc2cc3c(cc2F)C(=O)CCO3)c2ccc(C=O)cc2)cc(C)n1
InChIInChI=1S/C24H20FNO4/c1-14-9-18(10-15(2)26-14)24(17-5-3-16(13-27)4-6-17)30-23-12-22-19(11-20(23)25)21(28)7-8-29-22/h3-6,9-13,24H,7-8H2,1-2H3/t24-/m0/s1
InChIKeyDHQLPQBIOOUGGX-DEOSSOPVSA-N
XLogP4.78
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde?
The IUPAC name of 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde (CID 168740777) is 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde.
What is the SMILES notation for 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde?
The canonical SMILES for 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde is Cc1cc([C@@H](Oc2cc3c(cc2F)C(=O)CCO3)c2ccc(C=O)cc2)cc(C)n1.
What is the InChIKey of 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde?
The InChIKey is DHQLPQBIOOUGGX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-14-9-18(10-15(2)26-14)24(17-5-3-16(13-27)4-6-17)30-23-12-22-19(11-20(23)25)21(28)7-8-29-22/h3-6,9-13,24H,7-8H2,1-2H3/t24-/m0/s1.
What are the key properties of 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde?
4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde has a molecular weight of 405.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(2,6-dimethyl-4-pyridinyl)-[(6-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzaldehyde is sourced from PubChem (CID 168740777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).