3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid

C12H10N2O3 — CID 22923854

IUPAC3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccncc1
InChIInChI=1S/C12H10N2O3/c15-12(16)11-10(2-1-5-14-11)17-8-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16)
InChIKeyHFELRJZBBDZWEC-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.75
Rot. Bonds4

About 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid

3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid (PubChem CID 22923854) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid
PubChem CID22923854
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccncc1
InChIInChI=1S/C12H10N2O3/c15-12(16)11-10(2-1-5-14-11)17-8-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16)
InChIKeyHFELRJZBBDZWEC-UHFFFAOYSA-N
XLogP1.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid (CID 22923854) is 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is HFELRJZBBDZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)11-10(2-1-5-14-11)17-8-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16).
What are the key properties of 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid?
3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 22923854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).