3-bromo-7-iodo-2-methylquinoline

C10H7BrIN — CID 158773236

IUPAC3-bromo-7-iodo-2-methylquinoline
SMILESCc1nc2cc(I)ccc2cc1Br
InChIInChI=1S/C10H7BrIN/c1-6-9(11)4-7-2-3-8(12)5-10(7)13-6/h2-5H,1H3
InChIKeyQQHKJKCKLPIJRI-UHFFFAOYSA-N
MW347.98 g/mol
LogP3.91
Rot. Bonds

About 3-bromo-7-iodo-2-methylquinoline

3-bromo-7-iodo-2-methylquinoline (PubChem CID 158773236) has the molecular formula C10H7BrIN and a molecular weight of 347.98 g/mol. Its IUPAC name is 3-bromo-7-iodo-2-methylquinoline.

Molecular Properties

Compound Name3-bromo-7-iodo-2-methylquinoline
PubChem CID158773236
Molecular FormulaC10H7BrIN
Molecular Weight347.98 g/mol
Exact Mass346.88
IUPAC Name3-bromo-7-iodo-2-methylquinoline
SMILESCc1nc2cc(I)ccc2cc1Br
InChIInChI=1S/C10H7BrIN/c1-6-9(11)4-7-2-3-8(12)5-10(7)13-6/h2-5H,1H3
InChIKeyQQHKJKCKLPIJRI-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.98
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-iodo-2-methylquinoline?
The IUPAC name of 3-bromo-7-iodo-2-methylquinoline (CID 158773236) is 3-bromo-7-iodo-2-methylquinoline.
What is the SMILES notation for 3-bromo-7-iodo-2-methylquinoline?
The canonical SMILES for 3-bromo-7-iodo-2-methylquinoline is Cc1nc2cc(I)ccc2cc1Br.
What is the InChIKey of 3-bromo-7-iodo-2-methylquinoline?
The InChIKey is QQHKJKCKLPIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN/c1-6-9(11)4-7-2-3-8(12)5-10(7)13-6/h2-5H,1H3.
What are the key properties of 3-bromo-7-iodo-2-methylquinoline?
3-bromo-7-iodo-2-methylquinoline has a molecular weight of 347.98 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-iodo-2-methylquinoline is sourced from PubChem (CID 158773236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).