5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid

C13H12N2O3 — CID 102881330

IUPAC5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
SMILESCc1cncc(COc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H12N2O3/c1-9-4-10(6-14-5-9)8-18-11-2-3-12(13(16)17)15-7-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGGXSETAYXKDSHF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.06
Rot. Bonds4

About 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid

5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 102881330) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
PubChem CID102881330
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
SMILESCc1cncc(COc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H12N2O3/c1-9-4-10(6-14-5-9)8-18-11-2-3-12(13(16)17)15-7-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGGXSETAYXKDSHF-UHFFFAOYSA-N
XLogP2.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 102880260
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid
CID 102881795
3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
CID 102881324

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid (CID 102881330) is 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid is Cc1cncc(COc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is GGXSETAYXKDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-4-10(6-14-5-9)8-18-11-2-3-12(13(16)17)15-7-11/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid?
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 102881330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).