5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid

C14H13NO3 — CID 117212705

IUPAC5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
SMILESCc1cccc(OCc2cncc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO3/c1-10-3-2-4-13(5-10)18-9-11-6-12(14(16)17)8-15-7-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyPEKIUHQGZGGVBC-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.67
Rot. Bonds4

About 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid

5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid (PubChem CID 117212705) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
PubChem CID117212705
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
SMILESCc1cccc(OCc2cncc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO3/c1-10-3-2-4-13(5-10)18-9-11-6-12(14(16)17)8-15-7-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyPEKIUHQGZGGVBC-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

Analyze 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-hydroxy-4-[(3-methylphenoxy)methyl]benzoic acid
CID 117219662
2-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxylic acid
CID 82168732
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 104795977
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
1-methyl-5-[(3-methylphenoxy)methyl]pyrazole-4-carboxylic acid
CID 116629519

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid (CID 117212705) is 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid is Cc1cccc(OCc2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid?
The InChIKey is PEKIUHQGZGGVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-3-2-4-13(5-10)18-9-11-6-12(14(16)17)8-15-7-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid?
5-[(3-methylphenoxy)methyl]pyridine-3-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 5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 117212705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).