5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde

C14H12BrNO2 — CID 169335104

IUPAC5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(Br)cccc2NC2CC2)o1
InChIInChI=1S/C14H12BrNO2/c15-11-2-1-3-12(16-9-4-5-9)14(11)13-7-6-10(8-17)18-13/h1-3,6-9,16H,4-5H2
InChIKeyLTELTOCUMBBWGY-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.10
Rot. Bonds4

About 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde

5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde (PubChem CID 169335104) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde
PubChem CID169335104
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(Br)cccc2NC2CC2)o1
InChIInChI=1S/C14H12BrNO2/c15-11-2-1-3-12(16-9-4-5-9)14(11)13-7-6-10(8-17)18-13/h1-3,6-9,16H,4-5H2
InChIKeyLTELTOCUMBBWGY-UHFFFAOYSA-N
XLogP4.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.10
H-Bond Donors ≤ 51
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 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde (CID 169335104) is 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2c(Br)cccc2NC2CC2)o1.
What is the InChIKey of 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde?
The InChIKey is LTELTOCUMBBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-11-2-1-3-12(16-9-4-5-9)14(11)13-7-6-10(8-17)18-13/h1-3,6-9,16H,4-5H2.
What are the key properties of 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde?
5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde has a molecular weight of 306.16 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).