6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid

C14H13NO5 — CID 43589848

IUPAC6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(Oc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H13NO5/c1-18-10-5-11(19-2)7-12(6-10)20-13-4-3-9(8-15-13)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyRFCDUCUPPDZEBI-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.59
Rot. Bonds5

About 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid

6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 43589848) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID43589848
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(Oc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H13NO5/c1-18-10-5-11(19-2)7-12(6-10)20-13-4-3-9(8-15-13)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyRFCDUCUPPDZEBI-UHFFFAOYSA-N
XLogP2.59
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
6-(3,5-dimethoxyphenoxy)pyridine-3-sulfonamide
CID 115928101
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid (CID 43589848) is 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid is COc1cc(OC)cc(Oc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is RFCDUCUPPDZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-18-10-5-11(19-2)7-12(6-10)20-13-4-3-9(8-15-13)14(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid?
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 43589848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).