5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid

C8H7N5O2 — CID 175297877

IUPAC5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid
SMILESCc1cccc(C2(C(=O)O)N=NN=N2)n1
InChIInChI=1S/C8H7N5O2/c1-5-3-2-4-6(9-5)8(7(14)15)10-12-13-11-8/h2-4H,1H3,(H,14,15)
InChIKeyKHRUPSANYYQKHS-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.46
Rot. Bonds2

About 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid

5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid (PubChem CID 175297877) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid
PubChem CID175297877
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid
SMILESCc1cccc(C2(C(=O)O)N=NN=N2)n1
InChIInChI=1S/C8H7N5O2/c1-5-3-2-4-6(9-5)8(7(14)15)10-12-13-11-8/h2-4H,1H3,(H,14,15)
InChIKeyKHRUPSANYYQKHS-UHFFFAOYSA-N
XLogP1.46
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid?
The IUPAC name of 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid (CID 175297877) is 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid is Cc1cccc(C2(C(=O)O)N=NN=N2)n1.
What is the InChIKey of 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid?
The InChIKey is KHRUPSANYYQKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c1-5-3-2-4-6(9-5)8(7(14)15)10-12-13-11-8/h2-4H,1H3,(H,14,15).
What are the key properties of 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid?
5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-2-pyridinyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 175297877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).