2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid

C12H15NO5 — CID 58477311

IUPAC2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](COc2cc(C(=O)O)ccn2)O1
InChIInChI=1S/C12H15NO5/c1-12(2)17-7-9(18-12)6-16-10-5-8(11(14)15)3-4-13-10/h3-5,9H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQDYRBGKATLITNW-SECBINFHSA-N
MW253.25 g/mol
LogP1.31
Rot. Bonds4

About 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid

2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid (PubChem CID 58477311) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid
PubChem CID58477311
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](COc2cc(C(=O)O)ccn2)O1
InChIInChI=1S/C12H15NO5/c1-12(2)17-7-9(18-12)6-16-10-5-8(11(14)15)3-4-13-10/h3-5,9H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQDYRBGKATLITNW-SECBINFHSA-N
XLogP1.31
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid (CID 58477311) is 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid is CC1(C)OC[C@@H](COc2cc(C(=O)O)ccn2)O1.
What is the InChIKey of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid?
The InChIKey is QDYRBGKATLITNW-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO5/c1-12(2)17-7-9(18-12)6-16-10-5-8(11(14)15)3-4-13-10/h3-5,9H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid?
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 58477311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).