4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde

C17H15F2N3O4 — CID 177235577

IUPAC4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde
SMILESCOc1cnc(C(F)F)cc1-c1cc(N2CCOCC2=O)ncc1C=O
InChIInChI=1S/C17H15F2N3O4/c1-25-14-7-20-13(17(18)19)4-12(14)11-5-15(21-6-10(11)8-23)22-2-3-26-9-16(22)24/h4-8,17H,2-3,9H2,1H3
InChIKeySNLLHQRAJIBQLC-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.27
Rot. Bonds5

About 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde

4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde (PubChem CID 177235577) has the molecular formula C17H15F2N3O4 and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde
PubChem CID177235577
Molecular FormulaC17H15F2N3O4
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC Name4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde
SMILESCOc1cnc(C(F)F)cc1-c1cc(N2CCOCC2=O)ncc1C=O
InChIInChI=1S/C17H15F2N3O4/c1-25-14-7-20-13(17(18)19)4-12(14)11-5-15(21-6-10(11)8-23)22-2-3-26-9-16(22)24/h4-8,17H,2-3,9H2,1H3
InChIKeySNLLHQRAJIBQLC-UHFFFAOYSA-N
XLogP2.27
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde (CID 177235577) is 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde is COc1cnc(C(F)F)cc1-c1cc(N2CCOCC2=O)ncc1C=O.
What is the InChIKey of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde?
The InChIKey is SNLLHQRAJIBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4/c1-25-14-7-20-13(17(18)19)4-12(14)11-5-15(21-6-10(11)8-23)22-2-3-26-9-16(22)24/h4-8,17H,2-3,9H2,1H3.
What are the key properties of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde?
4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde has a molecular weight of 363.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-oxomorpholin-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 177235577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).