2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid

C10H10N4O3 — CID 123452731

IUPAC2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid
SMILESCOc1ccc(-c2nnn(C)n2)cc1C(=O)O
InChIInChI=1S/C10H10N4O3/c1-14-12-9(11-13-14)6-3-4-8(17-2)7(5-6)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyNATHYGAVZJCJLN-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.58
Rot. Bonds3

About 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid

2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid (PubChem CID 123452731) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid
PubChem CID123452731
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid
SMILESCOc1ccc(-c2nnn(C)n2)cc1C(=O)O
InChIInChI=1S/C10H10N4O3/c1-14-12-9(11-13-14)6-3-4-8(17-2)7(5-6)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyNATHYGAVZJCJLN-UHFFFAOYSA-N
XLogP0.58
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid?
The IUPAC name of 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid (CID 123452731) is 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid is COc1ccc(-c2nnn(C)n2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid?
The InChIKey is NATHYGAVZJCJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-14-12-9(11-13-14)6-3-4-8(17-2)7(5-6)10(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid?
2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methyltetrazol-5-yl)benzoic acid is sourced from PubChem (CID 123452731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).