2-chloro-6-(2-methylpentan-3-yl)pyridine

C11H16ClN — CID 58573121

IUPAC2-chloro-6-(2-methylpentan-3-yl)pyridine
SMILESCCC(c1cccc(Cl)n1)C(C)C
InChIInChI=1S/C11H16ClN/c1-4-9(8(2)3)10-6-5-7-11(12)13-10/h5-9H,4H2,1-3H3
InChIKeyGNIYCJMHMAKYKJ-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.88
Rot. Bonds3

About 2-chloro-6-(2-methylpentan-3-yl)pyridine

2-chloro-6-(2-methylpentan-3-yl)pyridine (PubChem CID 58573121) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpentan-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpentan-3-yl)pyridine
PubChem CID58573121
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-chloro-6-(2-methylpentan-3-yl)pyridine
SMILESCCC(c1cccc(Cl)n1)C(C)C
InChIInChI=1S/C11H16ClN/c1-4-9(8(2)3)10-6-5-7-11(12)13-10/h5-9H,4H2,1-3H3
InChIKeyGNIYCJMHMAKYKJ-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpentan-3-yl)pyridine?
The IUPAC name of 2-chloro-6-(2-methylpentan-3-yl)pyridine (CID 58573121) is 2-chloro-6-(2-methylpentan-3-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-methylpentan-3-yl)pyridine?
The canonical SMILES for 2-chloro-6-(2-methylpentan-3-yl)pyridine is CCC(c1cccc(Cl)n1)C(C)C.
What is the InChIKey of 2-chloro-6-(2-methylpentan-3-yl)pyridine?
The InChIKey is GNIYCJMHMAKYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-9(8(2)3)10-6-5-7-11(12)13-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-chloro-6-(2-methylpentan-3-yl)pyridine?
2-chloro-6-(2-methylpentan-3-yl)pyridine has a molecular weight of 197.71 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpentan-3-yl)pyridine is sourced from PubChem (CID 58573121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).