2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde

C18H15NO4 — CID 14857305

IUPAC2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde
SMILESCC1(C)Oc2ccc(C=O)cc2C(n2ccccc2=O)=C1C=O
InChIInChI=1S/C18H15NO4/c1-18(2)14(11-21)17(19-8-4-3-5-16(19)22)13-9-12(10-20)6-7-15(13)23-18/h3-11H,1-2H3
InChIKeyQGZMOSLMDIDCST-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.29
Rot. Bonds3

About 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde

2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde (PubChem CID 14857305) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde
PubChem CID14857305
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde
SMILESCC1(C)Oc2ccc(C=O)cc2C(n2ccccc2=O)=C1C=O
InChIInChI=1S/C18H15NO4/c1-18(2)14(11-21)17(19-8-4-3-5-16(19)22)13-9-12(10-20)6-7-15(13)23-18/h3-11H,1-2H3
InChIKeyQGZMOSLMDIDCST-UHFFFAOYSA-N
XLogP2.29
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde (CID 14857305) is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde is CC1(C)Oc2ccc(C=O)cc2C(n2ccccc2=O)=C1C=O.
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde?
The InChIKey is QGZMOSLMDIDCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-18(2)14(11-21)17(19-8-4-3-5-16(19)22)13-9-12(10-20)6-7-15(13)23-18/h3-11H,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde?
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde has a molecular weight of 309.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-3,6-dicarbaldehyde is sourced from PubChem (CID 14857305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).