4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid

C14H13NO4 — CID 117212644

IUPAC4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
SMILESCOc1ccccc1OCc1ccncc1C(=O)O
InChIInChI=1S/C14H13NO4/c1-18-12-4-2-3-5-13(12)19-9-10-6-7-15-8-11(10)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyPHRMMUCRMXOVJM-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.37
Rot. Bonds5

About 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid

4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid (PubChem CID 117212644) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
PubChem CID117212644
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
SMILESCOc1ccccc1OCc1ccncc1C(=O)O
InChIInChI=1S/C14H13NO4/c1-18-12-4-2-3-5-13(12)19-9-10-6-7-15-8-11(10)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyPHRMMUCRMXOVJM-UHFFFAOYSA-N
XLogP2.37
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
5-[(2-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 117213246
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 112694211
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
4-propylpyridine-3-carboxylic acid
CID 21413297

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid (CID 117212644) is 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid is COc1ccccc1OCc1ccncc1C(=O)O.
What is the InChIKey of 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid?
The InChIKey is PHRMMUCRMXOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-12-4-2-3-5-13(12)19-9-10-6-7-15-8-11(10)14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid?
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 117212644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).