6-(dimethylamino)-2-fluoro-3-formylbenzonitrile

C10H9FN2O — CID 2736728

IUPAC6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
SMILESCN(C)c1ccc(C=O)c(F)c1C#N
InChIInChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3
InChIKeyZGQREXNGDAXSQI-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.58
Rot. Bonds2

About 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile

6-(dimethylamino)-2-fluoro-3-formylbenzonitrile (PubChem CID 2736728) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile.

Molecular Properties

Compound Name6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
PubChem CID2736728
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
SMILESCN(C)c1ccc(C=O)c(F)c1C#N
InChIInChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3
InChIKeyZGQREXNGDAXSQI-UHFFFAOYSA-N
XLogP1.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile?
The IUPAC name of 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile (CID 2736728) is 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile.
What is the SMILES notation for 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile?
The canonical SMILES for 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile is CN(C)c1ccc(C=O)c(F)c1C#N.
What is the InChIKey of 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile?
The InChIKey is ZGQREXNGDAXSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3.
What are the key properties of 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile?
6-(dimethylamino)-2-fluoro-3-formylbenzonitrile has a molecular weight of 192.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile is sourced from PubChem (CID 2736728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).