(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride

C11H15ClNO3 — CID 112500408

IUPAC—
SMILESCc1ncc(CO)c2c1OC(C)(C)OC2.[Cl]
InChIInChI=1S/C11H15NO3.Cl/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10;/h4,13H,5-6H2,1-3H3;
InChIKeyCYKCPXXEDBCTRE-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.22
Rot. Bonds1

About (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride

(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride (PubChem CID 112500408) has the molecular formula C11H15ClNO3 and a molecular weight of 244.70 g/mol.

Molecular Properties

Compound Name(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride
PubChem CID112500408
Molecular FormulaC11H15ClNO3
Molecular Weight244.70 g/mol
Exact Mass244.07
IUPAC Name—
SMILESCc1ncc(CO)c2c1OC(C)(C)OC2.[Cl]
InChIInChI=1S/C11H15NO3.Cl/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10;/h4,13H,5-6H2,1-3H3;
InChIKeyCYKCPXXEDBCTRE-UHFFFAOYSA-N
XLogP2.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride?
The IUPAC name of (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride (CID 112500408) is not available.
What is the SMILES notation for (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride?
The canonical SMILES for (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride is Cc1ncc(CO)c2c1OC(C)(C)OC2.[Cl].
What is the InChIKey of (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride?
The InChIKey is CYKCPXXEDBCTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.Cl/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10;/h4,13H,5-6H2,1-3H3;.
What are the key properties of (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride?
(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride has a molecular weight of 244.70 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride is sourced from PubChem (CID 112500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).