3-chloro-2-fluoro-6-propoxypyridine

C8H9ClFNO — CID 125116294

IUPAC3-chloro-2-fluoro-6-propoxypyridine
SMILESCCCOc1ccc(Cl)c(F)n1
InChIInChI=1S/C8H9ClFNO/c1-2-5-12-7-4-3-6(9)8(10)11-7/h3-4H,2,5H2,1H3
InChIKeyMHKSAPHXRWRWDG-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.66
Rot. Bonds3

About 3-chloro-2-fluoro-6-propoxypyridine

3-chloro-2-fluoro-6-propoxypyridine (PubChem CID 125116294) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-propoxypyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-propoxypyridine
PubChem CID125116294
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name3-chloro-2-fluoro-6-propoxypyridine
SMILESCCCOc1ccc(Cl)c(F)n1
InChIInChI=1S/C8H9ClFNO/c1-2-5-12-7-4-3-6(9)8(10)11-7/h3-4H,2,5H2,1H3
InChIKeyMHKSAPHXRWRWDG-UHFFFAOYSA-N
XLogP2.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.66
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 3-chloro-2-fluoro-6-propoxypyridine?
The IUPAC name of 3-chloro-2-fluoro-6-propoxypyridine (CID 125116294) is 3-chloro-2-fluoro-6-propoxypyridine.
What is the SMILES notation for 3-chloro-2-fluoro-6-propoxypyridine?
The canonical SMILES for 3-chloro-2-fluoro-6-propoxypyridine is CCCOc1ccc(Cl)c(F)n1.
What is the InChIKey of 3-chloro-2-fluoro-6-propoxypyridine?
The InChIKey is MHKSAPHXRWRWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-2-5-12-7-4-3-6(9)8(10)11-7/h3-4H,2,5H2,1H3.
What are the key properties of 3-chloro-2-fluoro-6-propoxypyridine?
3-chloro-2-fluoro-6-propoxypyridine has a molecular weight of 189.62 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-6-propoxypyridine is sourced from PubChem (CID 125116294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).