2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine

C16H19ClN2 — CID 166491535

IUPAC2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
SMILESCC(C)c1ccc(C(C)(C)c2ccc(Cl)nc2)nc1
InChIInChI=1S/C16H19ClN2/c1-11(2)12-5-7-14(18-9-12)16(3,4)13-6-8-15(17)19-10-13/h5-11H,1-4H3
InChIKeySJAKUCWXPWFRNQ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine

2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine (PubChem CID 166491535) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
PubChem CID166491535
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
SMILESCC(C)c1ccc(C(C)(C)c2ccc(Cl)nc2)nc1
InChIInChI=1S/C16H19ClN2/c1-11(2)12-5-7-14(18-9-12)16(3,4)13-6-8-15(17)19-10-13/h5-11H,1-4H3
InChIKeySJAKUCWXPWFRNQ-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine?
The IUPAC name of 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine (CID 166491535) is 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine?
The canonical SMILES for 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine is CC(C)c1ccc(C(C)(C)c2ccc(Cl)nc2)nc1.
What is the InChIKey of 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine?
The InChIKey is SJAKUCWXPWFRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11(2)12-5-7-14(18-9-12)16(3,4)13-6-8-15(17)19-10-13/h5-11H,1-4H3.
What are the key properties of 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine?
2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine has a molecular weight of 274.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine is sourced from PubChem (CID 166491535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).