6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide

C9H10BrFN2 — CID 138991830

IUPAC6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2cc(F)ccc2CN1C
InChIInChI=1S/C9H9FN2.BrH/c1-12-5-6-2-3-7(10)4-8(6)9(12)11;/h2-4,11H,5H2,1H3;1H/b11-9-;
InChIKeyIXBZTKBLPXRFFL-KSIDEHCFSA-N
MW245.09 g/mol
LogP2.17
Rot. Bonds

About 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide

6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide (PubChem CID 138991830) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide
PubChem CID138991830
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2cc(F)ccc2CN1C
InChIInChI=1S/C9H9FN2.BrH/c1-12-5-6-2-3-7(10)4-8(6)9(12)11;/h2-4,11H,5H2,1H3;1H/b11-9-;
InChIKeyIXBZTKBLPXRFFL-KSIDEHCFSA-N
XLogP2.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide (CID 138991830) is 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1/c2cc(F)ccc2CN1C.
What is the InChIKey of 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide?
The InChIKey is IXBZTKBLPXRFFL-KSIDEHCFSA-N. The full InChI is InChI=1S/C9H9FN2.BrH/c1-12-5-6-2-3-7(10)4-8(6)9(12)11;/h2-4,11H,5H2,1H3;1H/b11-9-;.
What are the key properties of 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide?
6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide has a molecular weight of 245.09 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 138991830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).