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'}

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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).