2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride

C11H9ClN2O3 — CID 138040753

IUPAC2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccnc1Oc1cccnc1
InChIInChI=1S/C11H8N2O3.ClH/c14-11(15)9-4-2-6-13-10(9)16-8-3-1-5-12-7-8;/h1-7H,(H,14,15);1H
InChIKeyDWVQKGJUOXTUDR-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.39
Rot. Bonds3

About 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride

2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride (PubChem CID 138040753) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride
PubChem CID138040753
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccnc1Oc1cccnc1
InChIInChI=1S/C11H8N2O3.ClH/c14-11(15)9-4-2-6-13-10(9)16-8-3-1-5-12-7-8;/h1-7H,(H,14,15);1H
InChIKeyDWVQKGJUOXTUDR-UHFFFAOYSA-N
XLogP2.39
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride (CID 138040753) is 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccnc1Oc1cccnc1.
What is the InChIKey of 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride?
The InChIKey is DWVQKGJUOXTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3.ClH/c14-11(15)9-4-2-6-13-10(9)16-8-3-1-5-12-7-8;/h1-7H,(H,14,15);1H.
What are the key properties of 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride?
2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride has a molecular weight of 252.66 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxypyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 138040753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).