4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde

C18H20FNO3 — CID 19936693

IUPAC4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCOCc1c(OC)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-22-3)18(20-17)23-4/h5-9,11H,10H2,1-4H3
InChIKeyIFTCKFXTRCZTJV-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.98
Rot. Bonds6

About 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde

4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 19936693) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID19936693
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCOCc1c(OC)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-22-3)18(20-17)23-4/h5-9,11H,10H2,1-4H3
InChIKeyIFTCKFXTRCZTJV-UHFFFAOYSA-N
XLogP3.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde (CID 19936693) is 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde is COCc1c(OC)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is IFTCKFXTRCZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-22-3)18(20-17)23-4/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde?
4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 317.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 19936693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).