2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine

C11H16ClNO — CID 167456388

IUPAC2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Cl)ncc1C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)9-6-13-11(12)5-10(9)14-8(3)4/h5-8H,1-4H3
InChIKeyOBZLLHOUMMEXTC-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.65
Rot. Bonds3

About 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine

2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine (PubChem CID 167456388) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
PubChem CID167456388
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Cl)ncc1C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)9-6-13-11(12)5-10(9)14-8(3)4/h5-8H,1-4H3
InChIKeyOBZLLHOUMMEXTC-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.65
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-propan-2-yl-4-propan-2-yloxypyridine?
The IUPAC name of 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine (CID 167456388) is 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine.
What is the SMILES notation for 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine?
The canonical SMILES for 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine is CC(C)Oc1cc(Cl)ncc1C(C)C.
What is the InChIKey of 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine?
The InChIKey is OBZLLHOUMMEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)9-6-13-11(12)5-10(9)14-8(3)4/h5-8H,1-4H3.
What are the key properties of 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine?
2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine has a molecular weight of 213.71 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine is sourced from PubChem (CID 167456388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).