2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

C10H9ClN4O2 — CID 106502029

IUPAC2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClN4O2/c1-15-10(12-5-13-15)14-9(17)7-4-6(16)2-3-8(7)11/h2-5,16H,1H3,(H,12,13,14,17)
InChIKeyJAQXGBYSHOWUNB-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.43
Rot. Bonds2

About 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 106502029) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID106502029
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClN4O2/c1-15-10(12-5-13-15)14-9(17)7-4-6(16)2-3-8(7)11/h2-5,16H,1H3,(H,12,13,14,17)
InChIKeyJAQXGBYSHOWUNB-UHFFFAOYSA-N
XLogP1.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 106502029) is 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is JAQXGBYSHOWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-10(12-5-13-15)14-9(17)7-4-6(16)2-3-8(7)11/h2-5,16H,1H3,(H,12,13,14,17).
What are the key properties of 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 252.66 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 106502029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).