(4-fluoro-1H-indol-2-yl)methanimine

C9H7FN2 — CID 144681503

IUPAC(4-fluoro-1H-indol-2-yl)methanimine
SMILES[H]/N=C/c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C9H7FN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5,11-12H/b11-5+
InChIKeyXQGGKUISKDGJOD-VZUCSPMQSA-N
MW162.17 g/mol
LogP2.30
Rot. Bonds1

About (4-fluoro-1H-indol-2-yl)methanimine

(4-fluoro-1H-indol-2-yl)methanimine (PubChem CID 144681503) has the molecular formula C9H7FN2 and a molecular weight of 162.17 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)methanimine.

Molecular Properties

Compound Name(4-fluoro-1H-indol-2-yl)methanimine
PubChem CID144681503
Molecular FormulaC9H7FN2
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Name(4-fluoro-1H-indol-2-yl)methanimine
SMILES[H]/N=C/c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C9H7FN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5,11-12H/b11-5+
InChIKeyXQGGKUISKDGJOD-VZUCSPMQSA-N
XLogP2.30
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.30
H-Bond Donors ≤ 52
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 (4-fluoro-1H-indol-2-yl)methanimine?
The IUPAC name of (4-fluoro-1H-indol-2-yl)methanimine (CID 144681503) is (4-fluoro-1H-indol-2-yl)methanimine.
What is the SMILES notation for (4-fluoro-1H-indol-2-yl)methanimine?
The canonical SMILES for (4-fluoro-1H-indol-2-yl)methanimine is [H]/N=C/c1cc2c(F)cccc2[nH]1.
What is the InChIKey of (4-fluoro-1H-indol-2-yl)methanimine?
The InChIKey is XQGGKUISKDGJOD-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H7FN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5,11-12H/b11-5+.
What are the key properties of (4-fluoro-1H-indol-2-yl)methanimine?
(4-fluoro-1H-indol-2-yl)methanimine has a molecular weight of 162.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-2-yl)methanimine is sourced from PubChem (CID 144681503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).