2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine

C9H11Cl2NO — CID 176889482

IUPAC2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
SMILESCC[C@@H](C)Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-3-6(2)13-9-8(11)4-7(10)5-12-9/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyQJUKHNHBMOMOFD-ZCFIWIBFSA-N
MW220.10 g/mol
LogP3.57
Rot. Bonds3

About 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine

2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine (PubChem CID 176889482) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
PubChem CID176889482
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
SMILESCC[C@@H](C)Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-3-6(2)13-9-8(11)4-7(10)5-12-9/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyQJUKHNHBMOMOFD-ZCFIWIBFSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine?
The IUPAC name of 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine (CID 176889482) is 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine.
What is the SMILES notation for 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine?
The canonical SMILES for 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine is CC[C@@H](C)Oc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine?
The InChIKey is QJUKHNHBMOMOFD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-3-6(2)13-9-8(11)4-7(10)5-12-9/h4-6H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine?
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine has a molecular weight of 220.10 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine is sourced from PubChem (CID 176889482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).