7-azido-6-fluoro-4-methylchromen-2-one

C10H6FN3O2 — CID 132502104

IUPAC7-azido-6-fluoro-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(N=[N+]=[N-])c(F)cc12
InChIInChI=1S/C10H6FN3O2/c1-5-2-10(15)16-9-4-8(13-14-12)7(11)3-6(5)9/h2-4H,1H3
InChIKeySBWXLUJWUSOLEP-UHFFFAOYSA-N
MW219.18 g/mol
LogP3.18
Rot. Bonds1

About 7-azido-6-fluoro-4-methylchromen-2-one

7-azido-6-fluoro-4-methylchromen-2-one (PubChem CID 132502104) has the molecular formula C10H6FN3O2 and a molecular weight of 219.18 g/mol. Its IUPAC name is 7-azido-6-fluoro-4-methylchromen-2-one.

Molecular Properties

Compound Name7-azido-6-fluoro-4-methylchromen-2-one
PubChem CID132502104
Molecular FormulaC10H6FN3O2
Molecular Weight219.18 g/mol
Exact Mass219.04
IUPAC Name7-azido-6-fluoro-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(N=[N+]=[N-])c(F)cc12
InChIInChI=1S/C10H6FN3O2/c1-5-2-10(15)16-9-4-8(13-14-12)7(11)3-6(5)9/h2-4H,1H3
InChIKeySBWXLUJWUSOLEP-UHFFFAOYSA-N
XLogP3.18
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-azido-7-(diethylamino)chromen-2-one
CID 91426340
4-methyl-6,8-dihydrofuro[3,4-g]chromen-2-one
CID 91872203
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
4-methyl-7-nitrosochromen-2-one
CID 122373464
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 46197759
1-azido-4-bromo-2,5-difluorobenzene
CID 90298794
7-isocyano-4-methylchromen-2-one
CID 12971176
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
6,7-bis(2-hydroxyethyl)-4-methylchromen-2-one
CID 19392051
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046

Frequently Asked Questions

What is the IUPAC name of 7-azido-6-fluoro-4-methylchromen-2-one?
The IUPAC name of 7-azido-6-fluoro-4-methylchromen-2-one (CID 132502104) is 7-azido-6-fluoro-4-methylchromen-2-one.
What is the SMILES notation for 7-azido-6-fluoro-4-methylchromen-2-one?
The canonical SMILES for 7-azido-6-fluoro-4-methylchromen-2-one is Cc1cc(=O)oc2cc(N=[N+]=[N-])c(F)cc12.
What is the InChIKey of 7-azido-6-fluoro-4-methylchromen-2-one?
The InChIKey is SBWXLUJWUSOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2/c1-5-2-10(15)16-9-4-8(13-14-12)7(11)3-6(5)9/h2-4H,1H3.
What are the key properties of 7-azido-6-fluoro-4-methylchromen-2-one?
7-azido-6-fluoro-4-methylchromen-2-one has a molecular weight of 219.18 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-6-fluoro-4-methylchromen-2-one is sourced from PubChem (CID 132502104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).