5,6-dimethoxypyridine-3-carboxylic acid

C8H9NO4 — CID 12563086

IUPAC5,6-dimethoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)cnc1OC
InChIInChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)4-9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyDVPUSKADCOGLKP-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.80
Rot. Bonds3

About 5,6-dimethoxypyridine-3-carboxylic acid

5,6-dimethoxypyridine-3-carboxylic acid (PubChem CID 12563086) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5,6-dimethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethoxypyridine-3-carboxylic acid
PubChem CID12563086
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5,6-dimethoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)cnc1OC
InChIInChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)4-9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyDVPUSKADCOGLKP-UHFFFAOYSA-N
XLogP0.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 67025414
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid
CID 167074213
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
5-fluoro-7-methoxyquinoline-3-carboxylic acid
CID 129247852
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxypyridine-3-carboxylic acid?
The IUPAC name of 5,6-dimethoxypyridine-3-carboxylic acid (CID 12563086) is 5,6-dimethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5,6-dimethoxypyridine-3-carboxylic acid?
The canonical SMILES for 5,6-dimethoxypyridine-3-carboxylic acid is COc1cc(C(=O)O)cnc1OC.
What is the InChIKey of 5,6-dimethoxypyridine-3-carboxylic acid?
The InChIKey is DVPUSKADCOGLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)4-9-7(6)13-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethoxypyridine-3-carboxylic acid?
5,6-dimethoxypyridine-3-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 12563086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).