4-azido-5-hydroxy-3-methylchromen-2-one

C10H7N3O3 — CID 142152112

IUPAC4-azido-5-hydroxy-3-methylchromen-2-one
SMILESCc1c(N=[N+]=[N-])c2c(O)cccc2oc1=O
InChIInChI=1S/C10H7N3O3/c1-5-9(12-13-11)8-6(14)3-2-4-7(8)16-10(5)15/h2-4,14H,1H3
InChIKeyZZGHEKJXDAPIKZ-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.75
Rot. Bonds1

About 4-azido-5-hydroxy-3-methylchromen-2-one

4-azido-5-hydroxy-3-methylchromen-2-one (PubChem CID 142152112) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-azido-5-hydroxy-3-methylchromen-2-one.

Molecular Properties

Compound Name4-azido-5-hydroxy-3-methylchromen-2-one
PubChem CID142152112
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name4-azido-5-hydroxy-3-methylchromen-2-one
SMILESCc1c(N=[N+]=[N-])c2c(O)cccc2oc1=O
InChIInChI=1S/C10H7N3O3/c1-5-9(12-13-11)8-6(14)3-2-4-7(8)16-10(5)15/h2-4,14H,1H3
InChIKeyZZGHEKJXDAPIKZ-UHFFFAOYSA-N
XLogP2.75
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methylchromen-2-one
CID 54687016
4-azido-2-oxochromene-3-carbaldehyde
CID 15046363
5-hydroxy-3-methyl-1,4-benzoxazin-2-one
CID 5359943
3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
CID 11687367
(3-acetyloxy-5-hydroxy-2-oxochromen-4-yl) acetate
CID 19928858
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 5383016
3-azido-7-hydroxychromen-2-one;3-hydroxychromen-2-one;azide
CID 161084237
1,3-diazido-2-methylbenzene
CID 71379514
4,5-dihydroxy-2-oxochromene-3-carbonyl chloride
CID 54728310
2-tert-butyl-3-methyl-1-benzofuran-4-ol
CID 70367536
3-azido-6-hydroxychromen-2-one
CID 86689991

Frequently Asked Questions

What is the IUPAC name of 4-azido-5-hydroxy-3-methylchromen-2-one?
The IUPAC name of 4-azido-5-hydroxy-3-methylchromen-2-one (CID 142152112) is 4-azido-5-hydroxy-3-methylchromen-2-one.
What is the SMILES notation for 4-azido-5-hydroxy-3-methylchromen-2-one?
The canonical SMILES for 4-azido-5-hydroxy-3-methylchromen-2-one is Cc1c(N=[N+]=[N-])c2c(O)cccc2oc1=O.
What is the InChIKey of 4-azido-5-hydroxy-3-methylchromen-2-one?
The InChIKey is ZZGHEKJXDAPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c1-5-9(12-13-11)8-6(14)3-2-4-7(8)16-10(5)15/h2-4,14H,1H3.
What are the key properties of 4-azido-5-hydroxy-3-methylchromen-2-one?
4-azido-5-hydroxy-3-methylchromen-2-one has a molecular weight of 217.18 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-5-hydroxy-3-methylchromen-2-one is sourced from PubChem (CID 142152112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).