4,6-dimethoxypyridine-3-carboxylic acid

C8H9NO4 — CID 69266328

IUPAC4,6-dimethoxypyridine-3-carboxylic acid
SMILESCOc1cc(OC)c(C(=O)O)cn1
InChIInChI=1S/C8H9NO4/c1-12-6-3-7(13-2)9-4-5(6)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyFNJNUSNQSRUIOZ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.80
Rot. Bonds3

About 4,6-dimethoxypyridine-3-carboxylic acid

4,6-dimethoxypyridine-3-carboxylic acid (PubChem CID 69266328) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 4,6-dimethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethoxypyridine-3-carboxylic acid
PubChem CID69266328
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4,6-dimethoxypyridine-3-carboxylic acid
SMILESCOc1cc(OC)c(C(=O)O)cn1
InChIInChI=1S/C8H9NO4/c1-12-6-3-7(13-2)9-4-5(6)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyFNJNUSNQSRUIOZ-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

4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 44558094
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
CID 171797979
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 112756875
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
5-(2-fluorophenyl)-2-methoxypyridine-4-carboxylic acid
CID 46314072
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
bis(5-bromo-2-methoxy-4-pyridinyl)methanone
CID 145284641
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxypyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethoxypyridine-3-carboxylic acid (CID 69266328) is 4,6-dimethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethoxypyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethoxypyridine-3-carboxylic acid is COc1cc(OC)c(C(=O)O)cn1.
What is the InChIKey of 4,6-dimethoxypyridine-3-carboxylic acid?
The InChIKey is FNJNUSNQSRUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-6-3-7(13-2)9-4-5(6)8(10)11/h3-4H,1-2H3,(H,10,11).
What are the key properties of 4,6-dimethoxypyridine-3-carboxylic acid?
4,6-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 4,6-dimethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 69266328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).