3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine

C11H16ClN — CID 176739073

IUPAC3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
SMILESCC(c1cncc(Cl)c1)C(C)(C)C
InChIInChI=1S/C11H16ClN/c1-8(11(2,3)4)9-5-10(12)7-13-6-9/h5-8H,1-4H3
InChIKeyUJBJSODUDIKNOU-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.88
Rot. Bonds1

About 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine

3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine (PubChem CID 176739073) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
PubChem CID176739073
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
SMILESCC(c1cncc(Cl)c1)C(C)(C)C
InChIInChI=1S/C11H16ClN/c1-8(11(2,3)4)9-5-10(12)7-13-6-9/h5-8H,1-4H3
InChIKeyUJBJSODUDIKNOU-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
3-butan-2-yl-5-chloropyridine
CID 123919361
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
(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-chloro-3-pyridinyl)butanal
CID 57229106
3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine
CID 176962755
3,5-dichloropyridine;ethane
CID 142010125
1,3,5-tris[(2S)-3,3-dimethylbutan-2-yl]benzene
CID 11489581
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130655879
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine?
The IUPAC name of 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine (CID 176739073) is 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine?
The canonical SMILES for 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine is CC(c1cncc(Cl)c1)C(C)(C)C.
What is the InChIKey of 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine?
The InChIKey is UJBJSODUDIKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(11(2,3)4)9-5-10(12)7-13-6-9/h5-8H,1-4H3.
What are the key properties of 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine?
3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine has a molecular weight of 197.71 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine is sourced from PubChem (CID 176739073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).