6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid

C13H12N2O3 — CID 150138624

IUPAC6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
SMILESCc1ccncc1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H12N2O3/c1-9-5-6-14-7-12(9)18-8-10-3-2-4-11(15-10)13(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFCUGWWTWUFJUQI-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.06
Rot. Bonds4

About 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid

6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid (PubChem CID 150138624) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
PubChem CID150138624
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
SMILESCc1ccncc1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H12N2O3/c1-9-5-6-14-7-12(9)18-8-10-3-2-4-11(15-10)13(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFCUGWWTWUFJUQI-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

6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
CID 106903275
6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903322
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid (CID 150138624) is 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid is Cc1ccncc1OCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid?
The InChIKey is FCUGWWTWUFJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-5-6-14-7-12(9)18-8-10-3-2-4-11(15-10)13(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid?
6-[(4-methyl-3-pyridinyl)oxymethyl]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 6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 150138624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).