5-[(2S)-butan-2-yl]oxy-3-chloropyridazine

C8H11ClN2O — CID 86335315

IUPAC5-[(2S)-butan-2-yl]oxy-3-chloropyridazine
SMILESCC[C@H](C)Oc1cnnc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-3-6(2)12-7-4-8(9)11-10-5-7/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyQVLMBFLKBRBWBT-LURJTMIESA-N
MW186.64 g/mol
LogP2.31
Rot. Bonds3

About 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine

5-[(2S)-butan-2-yl]oxy-3-chloropyridazine (PubChem CID 86335315) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine.

Molecular Properties

Compound Name5-[(2S)-butan-2-yl]oxy-3-chloropyridazine
PubChem CID86335315
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-[(2S)-butan-2-yl]oxy-3-chloropyridazine
SMILESCC[C@H](C)Oc1cnnc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-3-6(2)12-7-4-8(9)11-10-5-7/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyQVLMBFLKBRBWBT-LURJTMIESA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yloxy-4-chlorobenzene
CID 14121698
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
6-chloro-N-(2-ethoxypropyl)pyridazin-4-amine
CID 114478234
2-butan-2-yloxy-6-chloropyrimidin-4-amine
CID 21147458
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
CID 176889482
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
4-butan-2-yloxyaniline
CID 13097722
3-chloro-5-cyclopropyloxypyridazine
CID 71302952
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
CID 89433011
6-chloro-N-(4-methylhexan-2-yl)pyridazin-4-amine
CID 114478151
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine?
The IUPAC name of 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine (CID 86335315) is 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine.
What is the SMILES notation for 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine?
The canonical SMILES for 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine is CC[C@H](C)Oc1cnnc(Cl)c1.
What is the InChIKey of 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine?
The InChIKey is QVLMBFLKBRBWBT-LURJTMIESA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-3-6(2)12-7-4-8(9)11-10-5-7/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine?
5-[(2S)-butan-2-yl]oxy-3-chloropyridazine has a molecular weight of 186.64 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-butan-2-yl]oxy-3-chloropyridazine is sourced from PubChem (CID 86335315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).