2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine

C14H15ClN2 — CID 156780767

IUPAC2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(Cl)n2)c1
InChIInChI=1S/C14H15ClN2/c1-14(2,3)10-7-8-16-12(9-10)11-5-4-6-13(15)17-11/h4-9H,1-3H3
InChIKeyCOFIVKWTOLETRU-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.09
Rot. Bonds1

About 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine

2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine (PubChem CID 156780767) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
PubChem CID156780767
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(Cl)n2)c1
InChIInChI=1S/C14H15ClN2/c1-14(2,3)10-7-8-16-12(9-10)11-5-4-6-13(15)17-11/h4-9H,1-3H3
InChIKeyCOFIVKWTOLETRU-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
3-(4-tert-butyl-2-pyridinyl)aniline;6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)phenyl]pyridin-2-amine;2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine;methane
CID 160964506
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
octakis(acetonitrile);hexakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);molybdenum;(oxygen(2-))
CID 139082640
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis(dioxido(dioxo)chromium);bis(oxygen(2-));bis(vanadium)
CID 53380188
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
CID 101142232
4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine
CID 157299059

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine?
The IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine (CID 156780767) is 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine.
What is the SMILES notation for 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine?
The canonical SMILES for 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine is CC(C)(C)c1ccnc(-c2cccc(Cl)n2)c1.
What is the InChIKey of 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine?
The InChIKey is COFIVKWTOLETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-14(2,3)10-7-8-16-12(9-10)11-5-4-6-13(15)17-11/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine?
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine has a molecular weight of 246.74 g/mol, XLogP of 4.09, 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-2-pyridinyl)-6-chloropyridine is sourced from PubChem (CID 156780767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).