4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine

C9H10ClF2NO — CID 130351861

IUPAC4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine
SMILESCC(C)OCc1cc(Cl)c(F)c(F)n1
InChIInChI=1S/C9H10ClF2NO/c1-5(2)14-4-6-3-7(10)8(11)9(12)13-6/h3,5H,4H2,1-2H3
InChIKeyQRYMLYXRYNQITJ-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine

4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine (PubChem CID 130351861) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine
PubChem CID130351861
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine
SMILESCC(C)OCc1cc(Cl)c(F)c(F)n1
InChIInChI=1S/C9H10ClF2NO/c1-5(2)14-4-6-3-7(10)8(11)9(12)13-6/h3,5H,4H2,1-2H3
InChIKeyQRYMLYXRYNQITJ-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.94
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 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine?
The IUPAC name of 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine (CID 130351861) is 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine.
What is the SMILES notation for 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine?
The canonical SMILES for 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine is CC(C)OCc1cc(Cl)c(F)c(F)n1.
What is the InChIKey of 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine?
The InChIKey is QRYMLYXRYNQITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-5(2)14-4-6-3-7(10)8(11)9(12)13-6/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine?
4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine has a molecular weight of 221.63 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-difluoro-6-(propan-2-yloxymethyl)pyridine is sourced from PubChem (CID 130351861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).