2-chloro-3-(fluoromethyl)-6-methoxyquinoline

C11H9ClFNO — CID 163369933

IUPAC2-chloro-3-(fluoromethyl)-6-methoxyquinoline
SMILESCOc1ccc2nc(Cl)c(CF)cc2c1
InChIInChI=1S/C11H9ClFNO/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(12)14-10/h2-5H,6H2,1H3
InChIKeyNPNRWMQUBUFYDF-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.37
Rot. Bonds2

About 2-chloro-3-(fluoromethyl)-6-methoxyquinoline

2-chloro-3-(fluoromethyl)-6-methoxyquinoline (PubChem CID 163369933) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-chloro-3-(fluoromethyl)-6-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-3-(fluoromethyl)-6-methoxyquinoline
PubChem CID163369933
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name2-chloro-3-(fluoromethyl)-6-methoxyquinoline
SMILESCOc1ccc2nc(Cl)c(CF)cc2c1
InChIInChI=1S/C11H9ClFNO/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(12)14-10/h2-5H,6H2,1H3
InChIKeyNPNRWMQUBUFYDF-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methoxy-3-propylquinoline
CID 63231530
(2-chloro-6-methoxyquinolin-3-yl)methyl methanesulfonate
CID 46838693
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-ene-1-thiol
CID 169456488
2-chloro-3-(2-cyclopropylethylsulfonylmethyl)-6-methoxyquinoline
CID 167804219
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
CID 132776082
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 43813618
1-(2-chloro-6-methoxyquinolin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821236
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(fluoromethyl)-6-methoxyquinoline?
The IUPAC name of 2-chloro-3-(fluoromethyl)-6-methoxyquinoline (CID 163369933) is 2-chloro-3-(fluoromethyl)-6-methoxyquinoline.
What is the SMILES notation for 2-chloro-3-(fluoromethyl)-6-methoxyquinoline?
The canonical SMILES for 2-chloro-3-(fluoromethyl)-6-methoxyquinoline is COc1ccc2nc(Cl)c(CF)cc2c1.
What is the InChIKey of 2-chloro-3-(fluoromethyl)-6-methoxyquinoline?
The InChIKey is NPNRWMQUBUFYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(12)14-10/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-3-(fluoromethyl)-6-methoxyquinoline?
2-chloro-3-(fluoromethyl)-6-methoxyquinoline has a molecular weight of 225.65 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(fluoromethyl)-6-methoxyquinoline is sourced from PubChem (CID 163369933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).