7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one

C16H13N3O3 — CID 70622612

IUPAC7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one
SMILESCOc1ccc2c(=O)c(C=NNc3ccccn3)coc2c1
InChIInChI=1S/C16H13N3O3/c1-21-12-5-6-13-14(8-12)22-10-11(16(13)20)9-18-19-15-4-2-3-7-17-15/h2-10H,1H3,(H,17,19)
InChIKeyQVMJGPOQNBDPHC-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds4

About 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one

7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one (PubChem CID 70622612) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one
PubChem CID70622612
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one
SMILESCOc1ccc2c(=O)c(C=NNc3ccccn3)coc2c1
InChIInChI=1S/C16H13N3O3/c1-21-12-5-6-13-14(8-12)22-10-11(16(13)20)9-18-19-15-4-2-3-7-17-15/h2-10H,1H3,(H,17,19)
InChIKeyQVMJGPOQNBDPHC-UHFFFAOYSA-N
XLogP2.64
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one?
The IUPAC name of 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one (CID 70622612) is 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one.
What is the SMILES notation for 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one?
The canonical SMILES for 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one is COc1ccc2c(=O)c(C=NNc3ccccn3)coc2c1.
What is the InChIKey of 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one?
The InChIKey is QVMJGPOQNBDPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-12-5-6-13-14(8-12)22-10-11(16(13)20)9-18-19-15-4-2-3-7-17-15/h2-10H,1H3,(H,17,19).
What are the key properties of 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one?
7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one has a molecular weight of 295.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one is sourced from PubChem (CID 70622612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).