3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid

C15H15NO3 — CID 61380273

IUPAC3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCc1cc(C)cc(COc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-10-6-11(2)8-12(7-10)9-19-13-4-3-5-16-14(13)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBFEACEOWBULDPK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.98
Rot. Bonds4

About 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid

3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 61380273) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID61380273
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCc1cc(C)cc(COc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-10-6-11(2)8-12(7-10)9-19-13-4-3-5-16-14(13)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBFEACEOWBULDPK-UHFFFAOYSA-N
XLogP2.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid
CID 114787467
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074336
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid (CID 61380273) is 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid is Cc1cc(C)cc(COc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is BFEACEOWBULDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-6-11(2)8-12(7-10)9-19-13-4-3-5-16-14(13)15(17)18/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid?
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).