3-bromo-7-iodoquinolin-2-amine

C9H6BrIN2 — CID 126637464

IUPAC3-bromo-7-iodoquinolin-2-amine
SMILESNc1nc2cc(I)ccc2cc1Br
InChIInChI=1S/C9H6BrIN2/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4H,(H2,12,13)
InChIKeyXIWUGFMDSFJHQD-UHFFFAOYSA-N
MW348.97 g/mol
LogP3.18
Rot. Bonds

About 3-bromo-7-iodoquinolin-2-amine

3-bromo-7-iodoquinolin-2-amine (PubChem CID 126637464) has the molecular formula C9H6BrIN2 and a molecular weight of 348.97 g/mol. Its IUPAC name is 3-bromo-7-iodoquinolin-2-amine.

Molecular Properties

Compound Name3-bromo-7-iodoquinolin-2-amine
PubChem CID126637464
Molecular FormulaC9H6BrIN2
Molecular Weight348.97 g/mol
Exact Mass347.88
IUPAC Name3-bromo-7-iodoquinolin-2-amine
SMILESNc1nc2cc(I)ccc2cc1Br
InChIInChI=1S/C9H6BrIN2/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4H,(H2,12,13)
InChIKeyXIWUGFMDSFJHQD-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.97
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-bromoquinolin-7-ol
CID 137043049
3-bromo-7-iodo-2-methylquinoline
CID 158773236
3,6-dibromo-7-iodoquinolin-2-amine
CID 171363911
3,6-diiodoacridine
CID 634773
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
2-bromo-7-iodoquinazolin-4-amine
CID 133059164
3-bromo-6-(trifluoromethyl)quinolin-2-amine
CID 97181843
7-bromo-3-fluoroquinolin-2-amine
CID 126637279
3-bromo-1,5-naphthyridin-2-amine
CID 824606
7-bromo-3-methylquinolin-2-amine
CID 17039635
2-amino-3-bromoquinoline-6-carboxylic acid
CID 156830315
7-bromo-3-methylquinolin-2-amine;hydrochloride
CID 43865982

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-iodoquinolin-2-amine?
The IUPAC name of 3-bromo-7-iodoquinolin-2-amine (CID 126637464) is 3-bromo-7-iodoquinolin-2-amine.
What is the SMILES notation for 3-bromo-7-iodoquinolin-2-amine?
The canonical SMILES for 3-bromo-7-iodoquinolin-2-amine is Nc1nc2cc(I)ccc2cc1Br.
What is the InChIKey of 3-bromo-7-iodoquinolin-2-amine?
The InChIKey is XIWUGFMDSFJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIN2/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4H,(H2,12,13).
What are the key properties of 3-bromo-7-iodoquinolin-2-amine?
3-bromo-7-iodoquinolin-2-amine has a molecular weight of 348.97 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-iodoquinolin-2-amine is sourced from PubChem (CID 126637464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).