methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate

C11H6BrClFNO2 — CID 107627758

IUPACmethyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Br)ccc(F)c2c1Cl
InChIInChI=1S/C11H6BrClFNO2/c1-17-11(16)5-4-15-10-6(12)2-3-7(14)8(10)9(5)13/h2-4H,1H3
InChIKeyBCGBUMKGTXIZPC-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.58
Rot. Bonds1

About methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate

methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate (PubChem CID 107627758) has the molecular formula C11H6BrClFNO2 and a molecular weight of 318.53 g/mol. Its IUPAC name is methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
PubChem CID107627758
Molecular FormulaC11H6BrClFNO2
Molecular Weight318.53 g/mol
Exact Mass316.93
IUPAC Namemethyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(Br)ccc(F)c2c1Cl
InChIInChI=1S/C11H6BrClFNO2/c1-17-11(16)5-4-15-10-6(12)2-3-7(14)8(10)9(5)13/h2-4H,1H3
InChIKeyBCGBUMKGTXIZPC-UHFFFAOYSA-N
XLogP3.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
CID 102614363
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 2-bromo-3-chloro-4-fluorobenzoate
CID 131090831
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
CID 102614340

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate (CID 107627758) is methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate is COC(=O)c1cnc2c(Br)ccc(F)c2c1Cl.
What is the InChIKey of methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate?
The InChIKey is BCGBUMKGTXIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNO2/c1-17-11(16)5-4-15-10-6(12)2-3-7(14)8(10)9(5)13/h2-4H,1H3.
What are the key properties of methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate?
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate has a molecular weight of 318.53 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 107627758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).