3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid

C15H15NO3 — CID 63074333

IUPAC3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCc1ccccc1OCc1cccnc1C(=O)O
InChIInChI=1S/C15H15NO3/c1-2-11-6-3-4-8-13(11)19-10-12-7-5-9-16-14(12)15(17)18/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyDZABLOWQZFKSCK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.92
Rot. Bonds5

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

3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63074333) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63074333
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCc1ccccc1OCc1cccnc1C(=O)O
InChIInChI=1S/C15H15NO3/c1-2-11-6-3-4-8-13(11)19-10-12-7-5-9-16-14(12)15(17)18/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyDZABLOWQZFKSCK-UHFFFAOYSA-N
XLogP2.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074336
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
CID 63073065
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 63073121

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid (CID 63074333) is 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid is CCc1ccccc1OCc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is DZABLOWQZFKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-11-6-3-4-8-13(11)19-10-12-7-5-9-16-14(12)15(17)18/h3-9H,2,10H2,1H3,(H,17,18).
What are the key properties of 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid?
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63074333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).