5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione

C11H7F2N5O2 — CID 107043757

IUPAC5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione
SMILESCn1nnc(CN2C(=O)C(=O)c3cc(F)cc(F)c32)n1
InChIInChI=1S/C11H7F2N5O2/c1-17-15-8(14-16-17)4-18-9-6(10(19)11(18)20)2-5(12)3-7(9)13/h2-3H,4H2,1H3
InChIKeyHGUBQFMBJVOCSO-UHFFFAOYSA-N
MW279.21 g/mol
LogP0.22
Rot. Bonds2

About 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione

5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione (PubChem CID 107043757) has the molecular formula C11H7F2N5O2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione
PubChem CID107043757
Molecular FormulaC11H7F2N5O2
Molecular Weight279.21 g/mol
Exact Mass279.06
IUPAC Name5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione
SMILESCn1nnc(CN2C(=O)C(=O)c3cc(F)cc(F)c32)n1
InChIInChI=1S/C11H7F2N5O2/c1-17-15-8(14-16-17)4-18-9-6(10(19)11(18)20)2-5(12)3-7(9)13/h2-3H,4H2,1H3
InChIKeyHGUBQFMBJVOCSO-UHFFFAOYSA-N
XLogP0.22
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356798
5,7-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 61356641
5,7-difluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
CID 61356486
5,7-difluoro-1-(4-methoxybutyl)indole-2,3-dione
CID 113436940
5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61356316
1-(3-bromo-2-methylpropyl)-5,7-difluoroindole-2,3-dione
CID 64996124
7-bromo-5-fluoro-1-(pyrimidin-2-ylmethyl)indole-2,3-dione
CID 62699569
1-(4-chlorobut-2-enyl)-5,7-difluoroindole-2,3-dione
CID 77051100
1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione
CID 61356320
1-[2-(bromomethyl)-2-ethylbutyl]-5,7-difluoroindole-2,3-dione
CID 64998675
1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione
CID 79172649
7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
CID 61356951

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione (CID 107043757) is 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione is Cn1nnc(CN2C(=O)C(=O)c3cc(F)cc(F)c32)n1.
What is the InChIKey of 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is HGUBQFMBJVOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O2/c1-17-15-8(14-16-17)4-18-9-6(10(19)11(18)20)2-5(12)3-7(9)13/h2-3H,4H2,1H3.
What are the key properties of 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione?
5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 279.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 107043757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).