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

C12H13NO5 — CID 141264679

IUPAC2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESCC1(C)OC=C(COc2ncccc2C(=O)O)O1
InChIInChI=1S/C12H13NO5/c1-12(2)17-7-8(18-12)6-16-10-9(11(14)15)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyJFXWDXGDNWBQNP-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.78
Rot. Bonds4

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

2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 141264679) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID141264679
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESCC1(C)OC=C(COc2ncccc2C(=O)O)O1
InChIInChI=1S/C12H13NO5/c1-12(2)17-7-8(18-12)6-16-10-9(11(14)15)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyJFXWDXGDNWBQNP-UHFFFAOYSA-N
XLogP1.78
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
(2,2-dimethyl-1,3-dioxol-4-yl)methyl pyridine-3-carboxylate
CID 156769193
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
CID 117045771
2-but-3-ynoxypyridine-3-carboxylic acid
CID 106794654
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctoxy]pyridine-3-carboxylic acid
CID 176683313

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid (CID 141264679) is 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid is CC1(C)OC=C(COc2ncccc2C(=O)O)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is JFXWDXGDNWBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-12(2)17-7-8(18-12)6-16-10-9(11(14)15)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid?
2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 141264679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).