3-butan-2-yl-5-chloropyridine

C9H12ClN — CID 123919361

IUPAC3-butan-2-yl-5-chloropyridine
SMILESCCC(C)c1cncc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-3-7(2)8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3
InChIKeyQICYMEMYMZTHTR-UHFFFAOYSA-N
MW169.66 g/mol
LogP3.25
Rot. Bonds2

About 3-butan-2-yl-5-chloropyridine

3-butan-2-yl-5-chloropyridine (PubChem CID 123919361) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 3-butan-2-yl-5-chloropyridine.

Molecular Properties

Compound Name3-butan-2-yl-5-chloropyridine
PubChem CID123919361
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name3-butan-2-yl-5-chloropyridine
SMILESCCC(C)c1cncc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-3-7(2)8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3
InChIKeyQICYMEMYMZTHTR-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-3-pyridinyl)butanal
CID 57229106
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
CID 176739073
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
3,5-dichloropyridine;ethane
CID 142010125
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-chloropyridine?
The IUPAC name of 3-butan-2-yl-5-chloropyridine (CID 123919361) is 3-butan-2-yl-5-chloropyridine.
What is the SMILES notation for 3-butan-2-yl-5-chloropyridine?
The canonical SMILES for 3-butan-2-yl-5-chloropyridine is CCC(C)c1cncc(Cl)c1.
What is the InChIKey of 3-butan-2-yl-5-chloropyridine?
The InChIKey is QICYMEMYMZTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-3-7(2)8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-5-chloropyridine?
3-butan-2-yl-5-chloropyridine has a molecular weight of 169.66 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-chloropyridine is sourced from PubChem (CID 123919361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).