N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide

C14H10N2O2 — CID 91212656

IUPACN-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide
SMILESO=C(NO)c1cccc(C#Cc2cccnc2)c1
InChIInChI=1S/C14H10N2O2/c17-14(16-18)13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-5,8-10,18H,(H,16,17)
InChIKeyKHGJPWRZBLAGEI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.60
Rot. Bonds1

About N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide

N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide (PubChem CID 91212656) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide
PubChem CID91212656
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC NameN-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide
SMILESO=C(NO)c1cccc(C#Cc2cccnc2)c1
InChIInChI=1S/C14H10N2O2/c17-14(16-18)13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-5,8-10,18H,(H,16,17)
InChIKeyKHGJPWRZBLAGEI-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide?
The IUPAC name of N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide (CID 91212656) is N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide.
What is the SMILES notation for N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide?
The canonical SMILES for N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide is O=C(NO)c1cccc(C#Cc2cccnc2)c1.
What is the InChIKey of N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide?
The InChIKey is KHGJPWRZBLAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(16-18)13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-5,8-10,18H,(H,16,17).
What are the key properties of N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide?
N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide is sourced from PubChem (CID 91212656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).