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

C14H13NO3 — CID 63073600

IUPAC3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1OCc1cccnc1C(=O)O
InChIInChI=1S/C14H13NO3/c1-10-5-2-3-7-12(10)18-9-11-6-4-8-15-13(11)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIVACFODYEQXJCN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.67
Rot. Bonds4

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

3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63073600) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63073600
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1OCc1cccnc1C(=O)O
InChIInChI=1S/C14H13NO3/c1-10-5-2-3-7-12(10)18-9-11-6-4-8-15-13(11)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIVACFODYEQXJCN-UHFFFAOYSA-N
XLogP2.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074336
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
CID 63073065
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid (CID 63073600) is 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid is Cc1ccccc1OCc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is IVACFODYEQXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-5-2-3-7-12(10)18-9-11-6-4-8-15-13(11)14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63073600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).