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

C11H16ClN — CID 176962755

IUPAC3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine
SMILESCC(C)C(C)(C)c1cncc(Cl)c1
InChIInChI=1S/C11H16ClN/c1-8(2)11(3,4)9-5-10(12)7-13-6-9/h5-8H,1-4H3
InChIKeyKYKCSUBHTSLOIY-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.67
Rot. Bonds2

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

3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine (PubChem CID 176962755) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine
PubChem CID176962755
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine
SMILESCC(C)C(C)(C)c1cncc(Cl)c1
InChIInChI=1S/C11H16ClN/c1-8(2)11(3,4)9-5-10(12)7-13-6-9/h5-8H,1-4H3
InChIKeyKYKCSUBHTSLOIY-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine?
The IUPAC name of 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine (CID 176962755) is 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine?
The canonical SMILES for 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine is CC(C)C(C)(C)c1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine?
The InChIKey is KYKCSUBHTSLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(2)11(3,4)9-5-10(12)7-13-6-9/h5-8H,1-4H3.
What are the key properties of 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine?
3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine has a molecular weight of 197.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,3-dimethylbutan-2-yl)pyridine is sourced from PubChem (CID 176962755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).