methyl 6-chloro-8-iodoquinoline-2-carboxylate

C11H7ClINO2 — CID 107629381

IUPACmethyl 6-chloro-8-iodoquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(Cl)cc(I)c2n1
InChIInChI=1S/C11H7ClINO2/c1-16-11(15)9-3-2-6-4-7(12)5-8(13)10(6)14-9/h2-5H,1H3
InChIKeyLEKPCCRNOCIODD-UHFFFAOYSA-N
MW347.54 g/mol
LogP3.28
Rot. Bonds1

About methyl 6-chloro-8-iodoquinoline-2-carboxylate

methyl 6-chloro-8-iodoquinoline-2-carboxylate (PubChem CID 107629381) has the molecular formula C11H7ClINO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is methyl 6-chloro-8-iodoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-8-iodoquinoline-2-carboxylate
PubChem CID107629381
Molecular FormulaC11H7ClINO2
Molecular Weight347.54 g/mol
Exact Mass346.92
IUPAC Namemethyl 6-chloro-8-iodoquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(Cl)cc(I)c2n1
InChIInChI=1S/C11H7ClINO2/c1-16-11(15)9-3-2-6-4-7(12)5-8(13)10(6)14-9/h2-5H,1H3
InChIKeyLEKPCCRNOCIODD-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 53.28
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 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
CID 18950577
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
6,8-dichloroquinoline-2-carboxylic acid
CID 82243861
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylate
CID 131297984

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-8-iodoquinoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-8-iodoquinoline-2-carboxylate (CID 107629381) is methyl 6-chloro-8-iodoquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-8-iodoquinoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-8-iodoquinoline-2-carboxylate is COC(=O)c1ccc2cc(Cl)cc(I)c2n1.
What is the InChIKey of methyl 6-chloro-8-iodoquinoline-2-carboxylate?
The InChIKey is LEKPCCRNOCIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClINO2/c1-16-11(15)9-3-2-6-4-7(12)5-8(13)10(6)14-9/h2-5H,1H3.
What are the key properties of methyl 6-chloro-8-iodoquinoline-2-carboxylate?
methyl 6-chloro-8-iodoquinoline-2-carboxylate has a molecular weight of 347.54 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-8-iodoquinoline-2-carboxylate is sourced from PubChem (CID 107629381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).