2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine

C14H19ClN2 — CID 166648375

IUPAC2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine
SMILESC=CC(C)(C)C1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2/c1-4-14(2,3)11-6-8-17(10-11)12-5-7-16-13(15)9-12/h4-5,7,9,11H,1,6,8,10H2,2-3H3
InChIKeyWHOBNNXDJPXHDO-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine

2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine (PubChem CID 166648375) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine
PubChem CID166648375
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine
SMILESC=CC(C)(C)C1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2/c1-4-14(2,3)11-6-8-17(10-11)12-5-7-16-13(15)9-12/h4-5,7,9,11H,1,6,8,10H2,2-3H3
InChIKeyWHOBNNXDJPXHDO-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine (CID 166648375) is 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine is C=CC(C)(C)C1CCN(c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine?
The InChIKey is WHOBNNXDJPXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-4-14(2,3)11-6-8-17(10-11)12-5-7-16-13(15)9-12/h4-5,7,9,11H,1,6,8,10H2,2-3H3.
What are the key properties of 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine?
2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine has a molecular weight of 250.77 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 166648375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).