2-chloro-3-fluoro-7-methoxyquinoline

C10H7ClFNO — CID 22030591

IUPAC2-chloro-3-fluoro-7-methoxyquinoline
SMILESCOc1ccc2cc(F)c(Cl)nc2c1
InChIInChI=1S/C10H7ClFNO/c1-14-7-3-2-6-4-8(12)10(11)13-9(6)5-7/h2-5H,1H3
InChIKeyWWRODOJACUZTIE-UHFFFAOYSA-N
MW211.62 g/mol
LogP3.04
Rot. Bonds1

About 2-chloro-3-fluoro-7-methoxyquinoline

2-chloro-3-fluoro-7-methoxyquinoline (PubChem CID 22030591) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 2-chloro-3-fluoro-7-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-3-fluoro-7-methoxyquinoline
PubChem CID22030591
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name2-chloro-3-fluoro-7-methoxyquinoline
SMILESCOc1ccc2cc(F)c(Cl)nc2c1
InChIInChI=1S/C10H7ClFNO/c1-14-7-3-2-6-4-8(12)10(11)13-9(6)5-7/h2-5H,1H3
InChIKeyWWRODOJACUZTIE-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-7-methoxyquinoline?
The IUPAC name of 2-chloro-3-fluoro-7-methoxyquinoline (CID 22030591) is 2-chloro-3-fluoro-7-methoxyquinoline.
What is the SMILES notation for 2-chloro-3-fluoro-7-methoxyquinoline?
The canonical SMILES for 2-chloro-3-fluoro-7-methoxyquinoline is COc1ccc2cc(F)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-3-fluoro-7-methoxyquinoline?
The InChIKey is WWRODOJACUZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-14-7-3-2-6-4-8(12)10(11)13-9(6)5-7/h2-5H,1H3.
What are the key properties of 2-chloro-3-fluoro-7-methoxyquinoline?
2-chloro-3-fluoro-7-methoxyquinoline has a molecular weight of 211.62 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-7-methoxyquinoline is sourced from PubChem (CID 22030591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).