2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid

C12H10N2O3 — CID 22714112

IUPAC2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
SMILESO=C(O)C(Oc1ccncc1)c1cccnc1
InChIInChI=1S/C12H10N2O3/c15-12(16)11(9-2-1-5-14-8-9)17-10-3-6-13-7-4-10/h1-8,11H,(H,15,16)
InChIKeyBWHHBCWUOMJJJC-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.68
Rot. Bonds4

About 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid

2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid (PubChem CID 22714112) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
PubChem CID22714112
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
SMILESO=C(O)C(Oc1ccncc1)c1cccnc1
InChIInChI=1S/C12H10N2O3/c15-12(16)11(9-2-1-5-14-8-9)17-10-3-6-13-7-4-10/h1-8,11H,(H,15,16)
InChIKeyBWHHBCWUOMJJJC-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid?
The IUPAC name of 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid (CID 22714112) is 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid.
What is the SMILES notation for 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid?
The canonical SMILES for 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid is O=C(O)C(Oc1ccncc1)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid?
The InChIKey is BWHHBCWUOMJJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)11(9-2-1-5-14-8-9)17-10-3-6-13-7-4-10/h1-8,11H,(H,15,16).
What are the key properties of 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid?
2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid has a molecular weight of 230.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid is sourced from PubChem (CID 22714112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).