2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide

C9H9N5O3 — CID 12962760

IUPAC2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C9H9N5O3/c1-17-6-4-2-3-5(7(6)15)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16)
InChIKeyUUCJZYVIQHTVOQ-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.17
Rot. Bonds3

About 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide

2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 12962760) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID12962760
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C9H9N5O3/c1-17-6-4-2-3-5(7(6)15)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16)
InChIKeyUUCJZYVIQHTVOQ-UHFFFAOYSA-N
XLogP0.17
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide (CID 12962760) is 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide is COc1cccc(C(=O)Nc2nn[nH]n2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is UUCJZYVIQHTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-17-6-4-2-3-5(7(6)15)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16).
What are the key properties of 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 235.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 12962760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).