6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid

C12H11NO3 — CID 142287385

IUPAC6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC2=CCCC=C2)nc1
InChIInChI=1S/C12H11NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h2,4-8H,1,3H2,(H,14,15)
InChIKeyWHDGVXAQSINCTR-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.39
Rot. Bonds3

About 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid

6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid (PubChem CID 142287385) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid
PubChem CID142287385
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC2=CCCC=C2)nc1
InChIInChI=1S/C12H11NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h2,4-8H,1,3H2,(H,14,15)
InChIKeyWHDGVXAQSINCTR-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
CID 55245031
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
CID 157386377
6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 125498323
6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 163472530
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid (CID 142287385) is 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid is O=C(O)c1ccc(OC2=CCCC=C2)nc1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid?
The InChIKey is WHDGVXAQSINCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h2,4-8H,1,3H2,(H,14,15).
What are the key properties of 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid?
6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 142287385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).