2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid

C17H13N3O2 — CID 155675288

IUPAC2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccnc1-c1ncccc1-c1ccccn1
InChIInChI=1S/C17H13N3O2/c21-15(22)11-12-5-3-9-19-16(12)17-13(6-4-10-20-17)14-7-1-2-8-18-14/h1-10H,11H2,(H,21,22)
InChIKeySSNUDIHMHSOCIJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.83
Rot. Bonds4

About 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid

2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid (PubChem CID 155675288) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
PubChem CID155675288
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccnc1-c1ncccc1-c1ccccn1
InChIInChI=1S/C17H13N3O2/c21-15(22)11-12-5-3-9-19-16(12)17-13(6-4-10-20-17)14-7-1-2-8-18-14/h1-10H,11H2,(H,21,22)
InChIKeySSNUDIHMHSOCIJ-UHFFFAOYSA-N
XLogP2.83
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid (CID 155675288) is 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cccnc1-c1ncccc1-c1ccccn1.
What is the InChIKey of 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid?
The InChIKey is SSNUDIHMHSOCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-15(22)11-12-5-3-9-19-16(12)17-13(6-4-10-20-17)14-7-1-2-8-18-14/h1-10H,11H2,(H,21,22).
What are the key properties of 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid?
2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 155675288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).