2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride

C13H11ClN2O5 — CID 70438795

IUPAC2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(COc2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C13H10N2O5.ClH/c16-12(17)8-4-10(13(18)19)11(15-5-8)7-20-9-2-1-3-14-6-9;/h1-6H,7H2,(H,16,17)(H,18,19);1H
InChIKeyWOHDOXIFJNAIBU-UHFFFAOYSA-N
MW310.69 g/mol
LogP1.87
Rot. Bonds5

About 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride

2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride (PubChem CID 70438795) has the molecular formula C13H11ClN2O5 and a molecular weight of 310.69 g/mol. Its IUPAC name is 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
PubChem CID70438795
Molecular FormulaC13H11ClN2O5
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC Name2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(COc2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C13H10N2O5.ClH/c16-12(17)8-4-10(13(18)19)11(15-5-8)7-20-9-2-1-3-14-6-9;/h1-6H,7H2,(H,16,17)(H,18,19);1H
InChIKeyWOHDOXIFJNAIBU-UHFFFAOYSA-N
XLogP1.87
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride?
The IUPAC name of 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride (CID 70438795) is 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride?
The canonical SMILES for 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride is Cl.O=C(O)c1cnc(COc2cccnc2)c(C(=O)O)c1.
What is the InChIKey of 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride?
The InChIKey is WOHDOXIFJNAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5.ClH/c16-12(17)8-4-10(13(18)19)11(15-5-8)7-20-9-2-1-3-14-6-9;/h1-6H,7H2,(H,16,17)(H,18,19);1H.
What are the key properties of 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride?
2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride has a molecular weight of 310.69 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 70438795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).