3-(prop-2-ynoylamino)pyridine-2-carboxylic acid

C9H6N2O3 — CID 104739879

IUPAC3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
SMILESC#CC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H6N2O3/c1-2-7(12)11-6-4-3-5-10-8(6)9(13)14/h1,3-5H,(H,11,12)(H,13,14)
InChIKeyLENHEAOJUCNOFJ-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.35
Rot. Bonds2

About 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid

3-(prop-2-ynoylamino)pyridine-2-carboxylic acid (PubChem CID 104739879) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
PubChem CID104739879
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
SMILESC#CC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H6N2O3/c1-2-7(12)11-6-4-3-5-10-8(6)9(13)14/h1,3-5H,(H,11,12)(H,13,14)
InChIKeyLENHEAOJUCNOFJ-UHFFFAOYSA-N
XLogP0.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
2-hydroxy-3-(prop-2-ynoylamino)benzoic acid
CID 104832869
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid (CID 104739879) is 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid is C#CC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid?
The InChIKey is LENHEAOJUCNOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c1-2-7(12)11-6-4-3-5-10-8(6)9(13)14/h1,3-5H,(H,11,12)(H,13,14).
What are the key properties of 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid?
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104739879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).