methyl 2-chloro-6-fluoroquinoline-4-carboxylate

C11H7ClFNO2 — CID 50742482

IUPACmethyl 2-chloro-6-fluoroquinoline-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2ccc(F)cc12
InChIInChI=1S/C11H7ClFNO2/c1-16-11(15)8-5-10(12)14-9-3-2-6(13)4-7(8)9/h2-5H,1H3
InChIKeyNVTKBFWNCSYDPE-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.81
Rot. Bonds1

About methyl 2-chloro-6-fluoroquinoline-4-carboxylate

methyl 2-chloro-6-fluoroquinoline-4-carboxylate (PubChem CID 50742482) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is methyl 2-chloro-6-fluoroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-fluoroquinoline-4-carboxylate
PubChem CID50742482
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Namemethyl 2-chloro-6-fluoroquinoline-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2ccc(F)cc12
InChIInChI=1S/C11H7ClFNO2/c1-16-11(15)8-5-10(12)14-9-3-2-6(13)4-7(8)9/h2-5H,1H3
InChIKeyNVTKBFWNCSYDPE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
CID 53248940
2-(chloromethyl)-6-fluoro-3H-quinazolin-4-one;methyl 2-amino-5-fluorobenzoate
CID 159028152
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739165
methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206521
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate
CID 90487890
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-fluoroquinoline-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-fluoroquinoline-4-carboxylate (CID 50742482) is methyl 2-chloro-6-fluoroquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-fluoroquinoline-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-fluoroquinoline-4-carboxylate is COC(=O)c1cc(Cl)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-chloro-6-fluoroquinoline-4-carboxylate?
The InChIKey is NVTKBFWNCSYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-16-11(15)8-5-10(12)14-9-3-2-6(13)4-7(8)9/h2-5H,1H3.
What are the key properties of methyl 2-chloro-6-fluoroquinoline-4-carboxylate?
methyl 2-chloro-6-fluoroquinoline-4-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 2-chloro-6-fluoroquinoline-4-carboxylate is sourced from PubChem (CID 50742482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).