methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate

C18H15BrN2O4 — CID 175951139

IUPACmethyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)ccc2n1.COC(=O)c1cccnc1
InChIInChI=1S/C11H8BrNO2.C7H7NO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10;1-10-7(9)6-3-2-4-8-5-6/h2-6H,1H3;2-5H,1H3
InChIKeyGGSJFEJQMLDEJB-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.65
Rot. Bonds2

About methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate

methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate (PubChem CID 175951139) has the molecular formula C18H15BrN2O4 and a molecular weight of 403.23 g/mol. Its IUPAC name is methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate
PubChem CID175951139
Molecular FormulaC18H15BrN2O4
Molecular Weight403.23 g/mol
Exact Mass402.02
IUPAC Namemethyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)ccc2n1.COC(=O)c1cccnc1
InChIInChI=1S/C11H8BrNO2.C7H7NO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10;1-10-7(9)6-3-2-4-8-5-6/h2-6H,1H3;2-5H,1H3
InChIKeyGGSJFEJQMLDEJB-UHFFFAOYSA-N
XLogP3.65
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(111C)methyl pyridine-3-carboxylate
CID 11309537
CID 22254315
CID 22254315
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
methyl 5-bromopyridine-2-carboxylate
CID 7016458
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl benzoate;methyl pyridine-3-carboxylate;1-methylpyrrole
CID 161014753
methyl 6-bromo-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-2-carboxylate
CID 133433919
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate?
The IUPAC name of methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate (CID 175951139) is methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate?
The canonical SMILES for methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate is COC(=O)c1ccc2cc(Br)ccc2n1.COC(=O)c1cccnc1.
What is the InChIKey of methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate?
The InChIKey is GGSJFEJQMLDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2.C7H7NO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10;1-10-7(9)6-3-2-4-8-5-6/h2-6H,1H3;2-5H,1H3.
What are the key properties of methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate?
methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate has a molecular weight of 403.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate is sourced from PubChem (CID 175951139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).