2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine

C16H18N2O2 — CID 135029829

IUPAC2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(C)cc([C@@H]3COCCO3)n2)c1
InChIInChI=1S/C16H18N2O2/c1-11-3-4-17-13(7-11)14-8-12(2)9-15(18-14)16-10-19-5-6-20-16/h3-4,7-9,16H,5-6,10H2,1-2H3/t16-/m0/s1
InChIKeyBRINZSNQCAPDCW-INIZCTEOSA-N
MW270.33 g/mol
LogP2.85
Rot. Bonds2

About 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine

2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine (PubChem CID 135029829) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine
PubChem CID135029829
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(C)cc([C@@H]3COCCO3)n2)c1
InChIInChI=1S/C16H18N2O2/c1-11-3-4-17-13(7-11)14-8-12(2)9-15(18-14)16-10-19-5-6-20-16/h3-4,7-9,16H,5-6,10H2,1-2H3/t16-/m0/s1
InChIKeyBRINZSNQCAPDCW-INIZCTEOSA-N
XLogP2.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine (CID 135029829) is 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine is Cc1ccnc(-c2cc(C)cc([C@@H]3COCCO3)n2)c1.
What is the InChIKey of 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine?
The InChIKey is BRINZSNQCAPDCW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-3-4-17-13(7-11)14-8-12(2)9-15(18-14)16-10-19-5-6-20-16/h3-4,7-9,16H,5-6,10H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine?
2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine has a molecular weight of 270.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,4-dioxan-2-yl]-4-methyl-6-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 135029829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).