6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid

C14H9N5O2 — CID 59153724

IUPAC6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2nnc(-c3ccccc3)nn2)nc1
InChIInChI=1S/C14H9N5O2/c20-14(21)10-6-7-11(15-8-10)13-18-16-12(17-19-13)9-4-2-1-3-5-9/h1-8H,(H,20,21)
InChIKeyZXGQPPGPBHWAKQ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.69
Rot. Bonds3

About 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid

6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid (PubChem CID 59153724) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
PubChem CID59153724
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2nnc(-c3ccccc3)nn2)nc1
InChIInChI=1S/C14H9N5O2/c20-14(21)10-6-7-11(15-8-10)13-18-16-12(17-19-13)9-4-2-1-3-5-9/h1-8H,(H,20,21)
InChIKeyZXGQPPGPBHWAKQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid (CID 59153724) is 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2nnc(-c3ccccc3)nn2)nc1.
What is the InChIKey of 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is ZXGQPPGPBHWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-14(21)10-6-7-11(15-8-10)13-18-16-12(17-19-13)9-4-2-1-3-5-9/h1-8H,(H,20,21).
What are the key properties of 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid?
6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59153724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).