3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine

C19H17ClN2O — CID 162781529

IUPAC3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
SMILESCC(C)c1ccc(Oc2ccnc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H17ClN2O/c1-13(2)16-8-9-17(23-15-10-11-21-18(20)12-15)19(22-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyXGMXIPRXJLPJKF-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.71
Rot. Bonds4

About 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine

3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine (PubChem CID 162781529) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
PubChem CID162781529
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
SMILESCC(C)c1ccc(Oc2ccnc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H17ClN2O/c1-13(2)16-8-9-17(23-15-10-11-21-18(20)12-15)19(22-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyXGMXIPRXJLPJKF-UHFFFAOYSA-N
XLogP5.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
CID 169196519
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 170167158
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
CID 169196635
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373
5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
CID 169196626
4-phenyl-2-propan-2-ylpyridine
CID 59796805

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine (CID 162781529) is 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine is CC(C)c1ccc(Oc2ccnc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine?
The InChIKey is XGMXIPRXJLPJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-13(2)16-8-9-17(23-15-10-11-21-18(20)12-15)19(22-16)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine?
3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine has a molecular weight of 324.81 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine is sourced from PubChem (CID 162781529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).