8-bromoquinazoline-2-carbaldehyde

C9H5BrN2O — CID 105498713

IUPAC8-bromoquinazoline-2-carbaldehyde
SMILESO=Cc1ncc2cccc(Br)c2n1
InChIInChI=1S/C9H5BrN2O/c10-7-3-1-2-6-4-11-8(5-13)12-9(6)7/h1-5H
InChIKeyALWRGECXVSDGGY-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.20
Rot. Bonds1

About 8-bromoquinazoline-2-carbaldehyde

8-bromoquinazoline-2-carbaldehyde (PubChem CID 105498713) has the molecular formula C9H5BrN2O and a molecular weight of 237.06 g/mol. Its IUPAC name is 8-bromoquinazoline-2-carbaldehyde.

Molecular Properties

Compound Name8-bromoquinazoline-2-carbaldehyde
PubChem CID105498713
Molecular FormulaC9H5BrN2O
Molecular Weight237.06 g/mol
Exact Mass235.96
IUPAC Name8-bromoquinazoline-2-carbaldehyde
SMILESO=Cc1ncc2cccc(Br)c2n1
InChIInChI=1S/C9H5BrN2O/c10-7-3-1-2-6-4-11-8(5-13)12-9(6)7/h1-5H
InChIKeyALWRGECXVSDGGY-UHFFFAOYSA-N
XLogP2.20
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.20
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 8-bromoquinazoline-2-carbaldehyde?
The IUPAC name of 8-bromoquinazoline-2-carbaldehyde (CID 105498713) is 8-bromoquinazoline-2-carbaldehyde.
What is the SMILES notation for 8-bromoquinazoline-2-carbaldehyde?
The canonical SMILES for 8-bromoquinazoline-2-carbaldehyde is O=Cc1ncc2cccc(Br)c2n1.
What is the InChIKey of 8-bromoquinazoline-2-carbaldehyde?
The InChIKey is ALWRGECXVSDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O/c10-7-3-1-2-6-4-11-8(5-13)12-9(6)7/h1-5H.
What are the key properties of 8-bromoquinazoline-2-carbaldehyde?
8-bromoquinazoline-2-carbaldehyde has a molecular weight of 237.06 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoquinazoline-2-carbaldehyde is sourced from PubChem (CID 105498713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).