6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid

C13H12N2O3 — CID 83214712

IUPAC6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(COCc2cccnc2)nc1
InChIInChI=1S/C13H12N2O3/c16-13(17)11-3-4-12(15-7-11)9-18-8-10-2-1-5-14-6-10/h1-7H,8-9H2,(H,16,17)
InChIKeyZXRSOUOLJWCXAY-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.89
Rot. Bonds5

About 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid

6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid (PubChem CID 83214712) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
PubChem CID83214712
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(COCc2cccnc2)nc1
InChIInChI=1S/C13H12N2O3/c16-13(17)11-3-4-12(15-7-11)9-18-8-10-2-1-5-14-6-10/h1-7H,8-9H2,(H,16,17)
InChIKeyZXRSOUOLJWCXAY-UHFFFAOYSA-N
XLogP1.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
CID 82827551
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
6-(pyridin-3-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 61299527
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid
CID 83213729
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
CID 83214184
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792
2-nitro-6-(pyridin-3-ylmethoxymethyl)benzoic acid
CID 104825177

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid (CID 83214712) is 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(COCc2cccnc2)nc1.
What is the InChIKey of 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid?
The InChIKey is ZXRSOUOLJWCXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)11-3-4-12(15-7-11)9-18-8-10-2-1-5-14-6-10/h1-7H,8-9H2,(H,16,17).
What are the key properties of 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid?
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 83214712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).