methyl 4-bromo-6-iodoquinoline-3-carboxylate

C11H7BrINO2 — CID 102614458

IUPACmethyl 4-bromo-6-iodoquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(I)cc2c1Br
InChIInChI=1S/C11H7BrINO2/c1-16-11(15)8-5-14-9-3-2-6(13)4-7(9)10(8)12/h2-5H,1H3
InChIKeyUHSXHPFSFUBDFZ-UHFFFAOYSA-N
MW391.99 g/mol
LogP3.39
Rot. Bonds1

About methyl 4-bromo-6-iodoquinoline-3-carboxylate

methyl 4-bromo-6-iodoquinoline-3-carboxylate (PubChem CID 102614458) has the molecular formula C11H7BrINO2 and a molecular weight of 391.99 g/mol. Its IUPAC name is methyl 4-bromo-6-iodoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-6-iodoquinoline-3-carboxylate
PubChem CID102614458
Molecular FormulaC11H7BrINO2
Molecular Weight391.99 g/mol
Exact Mass390.87
IUPAC Namemethyl 4-bromo-6-iodoquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(I)cc2c1Br
InChIInChI=1S/C11H7BrINO2/c1-16-11(15)8-5-14-9-3-2-6(13)4-7(9)10(8)12/h2-5H,1H3
InChIKeyUHSXHPFSFUBDFZ-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.99
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-bromo-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 102614396
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
methyl 6-bromo-4-iodopyridine-3-carboxylate
CID 86674963
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 2-fluoro-5-iodobenzoate
CID 24820379

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-6-iodoquinoline-3-carboxylate?
The IUPAC name of methyl 4-bromo-6-iodoquinoline-3-carboxylate (CID 102614458) is methyl 4-bromo-6-iodoquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-6-iodoquinoline-3-carboxylate?
The canonical SMILES for methyl 4-bromo-6-iodoquinoline-3-carboxylate is COC(=O)c1cnc2ccc(I)cc2c1Br.
What is the InChIKey of methyl 4-bromo-6-iodoquinoline-3-carboxylate?
The InChIKey is UHSXHPFSFUBDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrINO2/c1-16-11(15)8-5-14-9-3-2-6(13)4-7(9)10(8)12/h2-5H,1H3.
What are the key properties of methyl 4-bromo-6-iodoquinoline-3-carboxylate?
methyl 4-bromo-6-iodoquinoline-3-carboxylate has a molecular weight of 391.99 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-6-iodoquinoline-3-carboxylate is sourced from PubChem (CID 102614458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).