6-bromo-4-chloro-2-methylquinazoline

C9H6BrClN2 — CID 10753649

IUPAC6-bromo-4-chloro-2-methylquinazoline
SMILESCc1nc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C9H6BrClN2/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3
InChIKeyRKYJNZAWEQIQOF-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.35
Rot. Bonds

About 6-bromo-4-chloro-2-methylquinazoline

6-bromo-4-chloro-2-methylquinazoline (PubChem CID 10753649) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-methylquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-methylquinazoline
PubChem CID10753649
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name6-bromo-4-chloro-2-methylquinazoline
SMILESCc1nc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C9H6BrClN2/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3
InChIKeyRKYJNZAWEQIQOF-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-methylquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-methylquinazoline (CID 10753649) is 6-bromo-4-chloro-2-methylquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-methylquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-methylquinazoline is Cc1nc(Cl)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-4-chloro-2-methylquinazoline?
The InChIKey is RKYJNZAWEQIQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3.
What are the key properties of 6-bromo-4-chloro-2-methylquinazoline?
6-bromo-4-chloro-2-methylquinazoline has a molecular weight of 257.52 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-methylquinazoline is sourced from PubChem (CID 10753649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).