4-bromo-6-iodo-2-methylquinazoline

C9H6BrIN2 — CID 106584118

IUPAC4-bromo-6-iodo-2-methylquinazoline
SMILESCc1nc(Br)c2cc(I)ccc2n1
InChIInChI=1S/C9H6BrIN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3
InChIKeyDDNLSEKKMYNUTK-UHFFFAOYSA-N
MW348.97 g/mol
LogP3.31
Rot. Bonds

About 4-bromo-6-iodo-2-methylquinazoline

4-bromo-6-iodo-2-methylquinazoline (PubChem CID 106584118) has the molecular formula C9H6BrIN2 and a molecular weight of 348.97 g/mol. Its IUPAC name is 4-bromo-6-iodo-2-methylquinazoline.

Molecular Properties

Compound Name4-bromo-6-iodo-2-methylquinazoline
PubChem CID106584118
Molecular FormulaC9H6BrIN2
Molecular Weight348.97 g/mol
Exact Mass347.88
IUPAC Name4-bromo-6-iodo-2-methylquinazoline
SMILESCc1nc(Br)c2cc(I)ccc2n1
InChIInChI=1S/C9H6BrIN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3
InChIKeyDDNLSEKKMYNUTK-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.97
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-iodo-2-methylquinazoline?
The IUPAC name of 4-bromo-6-iodo-2-methylquinazoline (CID 106584118) is 4-bromo-6-iodo-2-methylquinazoline.
What is the SMILES notation for 4-bromo-6-iodo-2-methylquinazoline?
The canonical SMILES for 4-bromo-6-iodo-2-methylquinazoline is Cc1nc(Br)c2cc(I)ccc2n1.
What is the InChIKey of 4-bromo-6-iodo-2-methylquinazoline?
The InChIKey is DDNLSEKKMYNUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3.
What are the key properties of 4-bromo-6-iodo-2-methylquinazoline?
4-bromo-6-iodo-2-methylquinazoline has a molecular weight of 348.97 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-iodo-2-methylquinazoline is sourced from PubChem (CID 106584118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).