methyl 7-chloro-8-fluoroquinoline-2-carboxylate

C11H7ClFNO2 — CID 102941458

IUPACmethyl 7-chloro-8-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(Cl)c(F)c2n1
InChIInChI=1S/C11H7ClFNO2/c1-16-11(15)8-5-3-6-2-4-7(12)9(13)10(6)14-8/h2-5H,1H3
InChIKeyCJIUJLJNYRXBMB-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.81
Rot. Bonds1

About methyl 7-chloro-8-fluoroquinoline-2-carboxylate

methyl 7-chloro-8-fluoroquinoline-2-carboxylate (PubChem CID 102941458) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is methyl 7-chloro-8-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-8-fluoroquinoline-2-carboxylate
PubChem CID102941458
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Namemethyl 7-chloro-8-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(Cl)c(F)c2n1
InChIInChI=1S/C11H7ClFNO2/c1-16-11(15)8-5-3-6-2-4-7(12)9(13)10(6)14-8/h2-5H,1H3
InChIKeyCJIUJLJNYRXBMB-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 6-chloro-8-iodoquinoline-2-carboxylate
CID 107629381
methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
CID 18950577
methyl 8-sulfanylquinoline-2-carboxylate
CID 13378243
methyl 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 8-fluoroquinoline-2-carboxylate;2,2,2-trifluoroacetic acid
CID 175906706
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 8-acetamidoquinoline-2-carboxylate
CID 139830366
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-8-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 7-chloro-8-fluoroquinoline-2-carboxylate (CID 102941458) is methyl 7-chloro-8-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-8-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 7-chloro-8-fluoroquinoline-2-carboxylate is COC(=O)c1ccc2ccc(Cl)c(F)c2n1.
What is the InChIKey of methyl 7-chloro-8-fluoroquinoline-2-carboxylate?
The InChIKey is CJIUJLJNYRXBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-16-11(15)8-5-3-6-2-4-7(12)9(13)10(6)14-8/h2-5H,1H3.
What are the key properties of methyl 7-chloro-8-fluoroquinoline-2-carboxylate?
methyl 7-chloro-8-fluoroquinoline-2-carboxylate has a molecular weight of 239.63 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-8-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 102941458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).