3-butan-2-yloxy-2-chloropyridine

C9H12ClNO — CID 65102026

IUPAC3-butan-2-yloxy-2-chloropyridine
SMILESCCC(C)Oc1cccnc1Cl
InChIInChI=1S/C9H12ClNO/c1-3-7(2)12-8-5-4-6-11-9(8)10/h4-7H,3H2,1-2H3
InChIKeyWZQMRYIFZSAPBT-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.91
Rot. Bonds3

About 3-butan-2-yloxy-2-chloropyridine

3-butan-2-yloxy-2-chloropyridine (PubChem CID 65102026) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-butan-2-yloxy-2-chloropyridine.

Molecular Properties

Compound Name3-butan-2-yloxy-2-chloropyridine
PubChem CID65102026
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-butan-2-yloxy-2-chloropyridine
SMILESCCC(C)Oc1cccnc1Cl
InChIInChI=1S/C9H12ClNO/c1-3-7(2)12-8-5-4-6-11-9(8)10/h4-7H,3H2,1-2H3
InChIKeyWZQMRYIFZSAPBT-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.91
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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Related Compounds

8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
CID 100613714
8-butan-2-yloxyquinoline-5-carbaldehyde
CID 133164872
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
2-pentan-3-yloxypyridine
CID 45091035
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
2-chloro-3-(2-ethylsulfanylethoxy)pyridine
CID 115646957
(2-chloro-3-pyridinyl) 2-hydroxypropanoate
CID 131201350
bis(2-butan-2-yloxyphenoxy)-dihydroxysilane
CID 156762976

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2-chloropyridine?
The IUPAC name of 3-butan-2-yloxy-2-chloropyridine (CID 65102026) is 3-butan-2-yloxy-2-chloropyridine.
What is the SMILES notation for 3-butan-2-yloxy-2-chloropyridine?
The canonical SMILES for 3-butan-2-yloxy-2-chloropyridine is CCC(C)Oc1cccnc1Cl.
What is the InChIKey of 3-butan-2-yloxy-2-chloropyridine?
The InChIKey is WZQMRYIFZSAPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-3-7(2)12-8-5-4-6-11-9(8)10/h4-7H,3H2,1-2H3.
What are the key properties of 3-butan-2-yloxy-2-chloropyridine?
3-butan-2-yloxy-2-chloropyridine has a molecular weight of 185.65 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2-chloropyridine is sourced from PubChem (CID 65102026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).