bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc

C24H20N4O4Zn — CID 166063488

IUPACbis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
SMILESO=C(O)Cc1cccnc1-c1ccccn1.O=C(O)Cc1cccnc1-c1ccccn1.[Zn]
InChIInChI=1S/2C12H10N2O2.Zn/c2*15-11(16)8-9-4-3-7-14-12(9)10-5-1-2-6-13-10;/h2*1-7H,8H2,(H,15,16);
InChIKeyYNRWWZJWQREHMS-UHFFFAOYSA-N
MW493.84 g/mol
LogP3.54
Rot. Bonds6

About bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc

bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc (PubChem CID 166063488) has the molecular formula C24H20N4O4Zn and a molecular weight of 493.84 g/mol. Its IUPAC name is bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc.

Molecular Properties

Compound Namebis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
PubChem CID166063488
Molecular FormulaC24H20N4O4Zn
Molecular Weight493.84 g/mol
Exact Mass492.08
IUPAC Namebis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
SMILESO=C(O)Cc1cccnc1-c1ccccn1.O=C(O)Cc1cccnc1-c1ccccn1.[Zn]
InChIInChI=1S/2C12H10N2O2.Zn/c2*15-11(16)8-9-4-3-7-14-12(9)10-5-1-2-6-13-10;/h2*1-7H,8H2,(H,15,16);
InChIKeyYNRWWZJWQREHMS-UHFFFAOYSA-N
XLogP3.54
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.84
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc?
The IUPAC name of bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc (CID 166063488) is bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc.
What is the SMILES notation for bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc?
The canonical SMILES for bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc is O=C(O)Cc1cccnc1-c1ccccn1.O=C(O)Cc1cccnc1-c1ccccn1.[Zn].
What is the InChIKey of bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc?
The InChIKey is YNRWWZJWQREHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N2O2.Zn/c2*15-11(16)8-9-4-3-7-14-12(9)10-5-1-2-6-13-10;/h2*1-7H,8H2,(H,15,16);.
What are the key properties of bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc?
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc has a molecular weight of 493.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc is sourced from PubChem (CID 166063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).