2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine

C9H11ClFNO — CID 171519604

IUPAC2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine
SMILESCC(C)OCc1c(F)ccnc1Cl
InChIInChI=1S/C9H11ClFNO/c1-6(2)13-5-7-8(11)3-4-12-9(7)10/h3-4,6H,5H2,1-2H3
InChIKeyQVFIRJSSYIFQBK-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine

2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine (PubChem CID 171519604) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine
PubChem CID171519604
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine
SMILESCC(C)OCc1c(F)ccnc1Cl
InChIInChI=1S/C9H11ClFNO/c1-6(2)13-5-7-8(11)3-4-12-9(7)10/h3-4,6H,5H2,1-2H3
InChIKeyQVFIRJSSYIFQBK-UHFFFAOYSA-N
XLogP2.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.80
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-4-fluoro-3-(propan-2-yloxymethyl)pyridine?
The IUPAC name of 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine (CID 171519604) is 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine is CC(C)OCc1c(F)ccnc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine?
The InChIKey is QVFIRJSSYIFQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6(2)13-5-7-8(11)3-4-12-9(7)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine?
2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine has a molecular weight of 203.64 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-(propan-2-yloxymethyl)pyridine is sourced from PubChem (CID 171519604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).