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

C9H7ClN4O2 — CID 70469561

IUPAC3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(Cl)c1O
InChIInChI=1S/C9H7ClN4O2/c10-6-3-1-2-5(7(6)15)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyINUOOIKBOXQUFL-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.42
Rot. Bonds2

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

3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 70469561) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID70469561
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(Cl)c1O
InChIInChI=1S/C9H7ClN4O2/c10-6-3-1-2-5(7(6)15)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyINUOOIKBOXQUFL-UHFFFAOYSA-N
XLogP1.42
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 70469561) is 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is INUOOIKBOXQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-6-3-1-2-5(7(6)15)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16).
What are the key properties of 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 238.63 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 70469561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).