2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine

C14H19ClN2 — CID 115774295

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine
SMILESCC(C)(C)C1=CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN2/c1-14(2,3)11-6-8-17(9-7-11)13-5-4-12(15)10-16-13/h4-6,10H,7-9H2,1-3H3
InChIKeyMANRVDIUZRAPDV-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.92
Rot. Bonds1

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine (PubChem CID 115774295) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine
PubChem CID115774295
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine
SMILESCC(C)(C)C1=CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN2/c1-14(2,3)11-6-8-17(9-7-11)13-5-4-12(15)10-16-13/h4-6,10H,7-9H2,1-3H3
InChIKeyMANRVDIUZRAPDV-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine (CID 115774295) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine is CC(C)(C)C1=CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine?
The InChIKey is MANRVDIUZRAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-14(2,3)11-6-8-17(9-7-11)13-5-4-12(15)10-16-13/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine has a molecular weight of 250.77 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-chloropyridine is sourced from PubChem (CID 115774295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).