5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid

C13H13NO4 — CID 167157914

IUPAC5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ncc1OC1C=CC=CC1
InChIInChI=1S/C13H13NO4/c1-17-11-7-10(13(15)16)14-8-12(11)18-9-5-3-2-4-6-9/h2-5,7-9H,6H2,1H3,(H,15,16)
InChIKeyVLBSHMQNEVRGKX-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.05
Rot. Bonds4

About 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid

5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid (PubChem CID 167157914) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid
PubChem CID167157914
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ncc1OC1C=CC=CC1
InChIInChI=1S/C13H13NO4/c1-17-11-7-10(13(15)16)14-8-12(11)18-9-5-3-2-4-6-9/h2-5,7-9H,6H2,1H3,(H,15,16)
InChIKeyVLBSHMQNEVRGKX-UHFFFAOYSA-N
XLogP2.05
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
CID 138674847
CID 67026980
CID 67026980
7-methoxy-6-methylisoquinoline-3-carboxylic acid
CID 82393522
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
5-ethoxy-N-hydroxy-4-methoxypyridine-2-carboxamide
CID 175442250
1-(5-bromo-4-methoxy-2-pyridinyl)ethanone
CID 84693223
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid?
The IUPAC name of 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid (CID 167157914) is 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid is COc1cc(C(=O)O)ncc1OC1C=CC=CC1.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid?
The InChIKey is VLBSHMQNEVRGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-11-7-10(13(15)16)14-8-12(11)18-9-5-3-2-4-6-9/h2-5,7-9H,6H2,1H3,(H,15,16).
What are the key properties of 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid?
5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-yloxy-4-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 167157914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).