2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid

C14H13NO3 — CID 62073745

IUPAC2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ccc(OCc2ccccc2C(=O)O)cn1
InChIInChI=1S/C14H13NO3/c1-10-6-7-12(8-15-10)18-9-11-4-2-3-5-13(11)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyWVIMDFLHPGHRJK-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.67
Rot. Bonds4

About 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid

2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid (PubChem CID 62073745) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
PubChem CID62073745
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ccc(OCc2ccccc2C(=O)O)cn1
InChIInChI=1S/C14H13NO3/c1-10-6-7-12(8-15-10)18-9-11-4-2-3-5-13(11)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyWVIMDFLHPGHRJK-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

2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 55173092
4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63640004
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-[[4-(2-carboxy-2-methylpropyl)phenoxy]methyl]benzoic acid
CID 67598632
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid (CID 62073745) is 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid is Cc1ccc(OCc2ccccc2C(=O)O)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The InChIKey is WVIMDFLHPGHRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-6-7-12(8-15-10)18-9-11-4-2-3-5-13(11)14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic 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 2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid is sourced from PubChem (CID 62073745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).