4-azido-2-oxochromene-3-carbaldehyde

C10H5N3O3 — CID 15046363

IUPAC4-azido-2-oxochromene-3-carbaldehyde
SMILES[N-]=[N+]=Nc1c(C=O)c(=O)oc2ccccc12
InChIInChI=1S/C10H5N3O3/c11-13-12-9-6-3-1-2-4-8(6)16-10(15)7(9)5-14/h1-5H
InChIKeyZTPMOUVMPVFYEK-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.55
Rot. Bonds2

About 4-azido-2-oxochromene-3-carbaldehyde

4-azido-2-oxochromene-3-carbaldehyde (PubChem CID 15046363) has the molecular formula C10H5N3O3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-azido-2-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name4-azido-2-oxochromene-3-carbaldehyde
PubChem CID15046363
Molecular FormulaC10H5N3O3
Molecular Weight215.17 g/mol
Exact Mass215.03
IUPAC Name4-azido-2-oxochromene-3-carbaldehyde
SMILES[N-]=[N+]=Nc1c(C=O)c(=O)oc2ccccc12
InChIInChI=1S/C10H5N3O3/c11-13-12-9-6-3-1-2-4-8(6)16-10(15)7(9)5-14/h1-5H
InChIKeyZTPMOUVMPVFYEK-UHFFFAOYSA-N
XLogP2.55
TPSA96.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-azido-2-phenylchromen-4-one
CID 90825392
2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde
CID 155979981
3-(ethylamino)-2-oxochromene-4-carbaldehyde
CID 141363714
4-azido-5-hydroxy-3-methylchromen-2-one
CID 142152112
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
CID 15530921
sodium 3-formyl-1-benzofuran-2-thiolate
CID 135057802
4-hydroxy-3-methylchromen-2-one
CID 54687016
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
2-azido-1-methylindole-3-carbaldehyde
CID 14245995
7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde
CID 167299712
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982

Frequently Asked Questions

What is the IUPAC name of 4-azido-2-oxochromene-3-carbaldehyde?
The IUPAC name of 4-azido-2-oxochromene-3-carbaldehyde (CID 15046363) is 4-azido-2-oxochromene-3-carbaldehyde.
What is the SMILES notation for 4-azido-2-oxochromene-3-carbaldehyde?
The canonical SMILES for 4-azido-2-oxochromene-3-carbaldehyde is [N-]=[N+]=Nc1c(C=O)c(=O)oc2ccccc12.
What is the InChIKey of 4-azido-2-oxochromene-3-carbaldehyde?
The InChIKey is ZTPMOUVMPVFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3/c11-13-12-9-6-3-1-2-4-8(6)16-10(15)7(9)5-14/h1-5H.
What are the key properties of 4-azido-2-oxochromene-3-carbaldehyde?
4-azido-2-oxochromene-3-carbaldehyde has a molecular weight of 215.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-oxochromene-3-carbaldehyde is sourced from PubChem (CID 15046363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).