5-ethynyl-N-hydroxypyridine-2-carboxamide

C8H6N2O2 — CID 74892605

IUPAC5-ethynyl-N-hydroxypyridine-2-carboxamide
SMILESC#Cc1ccc(C(=O)NO)nc1
InChIInChI=1S/C8H6N2O2/c1-2-6-3-4-7(9-5-6)8(11)10-12/h1,3-5,12H,(H,10,11)
InChIKeyXKUXILFODXKMJN-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.18
Rot. Bonds1

About 5-ethynyl-N-hydroxypyridine-2-carboxamide

5-ethynyl-N-hydroxypyridine-2-carboxamide (PubChem CID 74892605) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-ethynyl-N-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethynyl-N-hydroxypyridine-2-carboxamide
PubChem CID74892605
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name5-ethynyl-N-hydroxypyridine-2-carboxamide
SMILESC#Cc1ccc(C(=O)NO)nc1
InChIInChI=1S/C8H6N2O2/c1-2-6-3-4-7(9-5-6)8(11)10-12/h1,3-5,12H,(H,10,11)
InChIKeyXKUXILFODXKMJN-UHFFFAOYSA-N
XLogP0.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.18
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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Related Compounds

methyl 5-ethynylpyridine-2-carboxylate
CID 568567
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
methyl (2R)-2-[(5-ethynylpyridine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 176830997
N-hydroxy-5-propan-2-yloxypyridine-2-carboxamide
CID 58126135
5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 81316402
chloro 5-cyanopyridine-2-carboxylate
CID 90373029
methyl 3-(5-ethynyl-2-pyridinyl)prop-2-enoate
CID 175221473
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-[2-[4-[2-(6-carboxy-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 132516488
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-N-hydroxypyridine-2-carboxamide?
The IUPAC name of 5-ethynyl-N-hydroxypyridine-2-carboxamide (CID 74892605) is 5-ethynyl-N-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 5-ethynyl-N-hydroxypyridine-2-carboxamide?
The canonical SMILES for 5-ethynyl-N-hydroxypyridine-2-carboxamide is C#Cc1ccc(C(=O)NO)nc1.
What is the InChIKey of 5-ethynyl-N-hydroxypyridine-2-carboxamide?
The InChIKey is XKUXILFODXKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-2-6-3-4-7(9-5-6)8(11)10-12/h1,3-5,12H,(H,10,11).
What are the key properties of 5-ethynyl-N-hydroxypyridine-2-carboxamide?
5-ethynyl-N-hydroxypyridine-2-carboxamide has a molecular weight of 162.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 74892605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).