2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid

C9H8N4O3 — CID 171797979

IUPAC2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(-n2nccn2)cn1
InChIInChI=1S/C9H8N4O3/c1-16-8-4-6(9(14)15)7(5-10-8)13-11-2-3-12-13/h2-5H,1H3,(H,14,15)
InChIKeyVEBKUQSFGATIMH-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.37
Rot. Bonds3

About 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid

2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 171797979) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
PubChem CID171797979
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(-n2nccn2)cn1
InChIInChI=1S/C9H8N4O3/c1-16-8-4-6(9(14)15)7(5-10-8)13-11-2-3-12-13/h2-5H,1H3,(H,14,15)
InChIKeyVEBKUQSFGATIMH-UHFFFAOYSA-N
XLogP0.37
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid (CID 171797979) is 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid is COc1cc(C(=O)O)c(-n2nccn2)cn1.
What is the InChIKey of 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is VEBKUQSFGATIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-16-8-4-6(9(14)15)7(5-10-8)13-11-2-3-12-13/h2-5H,1H3,(H,14,15).
What are the key properties of 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid?
2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 171797979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).