6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid

C10H10N2O2 — CID 114417641

IUPAC6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
SMILESC#CC(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C10H10N2O2/c1-3-7(2)11-9-6-4-5-8(12-9)10(13)14/h1,4-7H,2H3,(H,11,12)(H,13,14)
InChIKeyPQVYVGKSMNCPJI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.21
Rot. Bonds3

About 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid

6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 114417641) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
PubChem CID114417641
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
SMILESC#CC(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C10H10N2O2/c1-3-7(2)11-9-6-4-5-8(12-9)10(13)14/h1,4-7H,2H3,(H,11,12)(H,13,14)
InChIKeyPQVYVGKSMNCPJI-UHFFFAOYSA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.21
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

6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 62238868
6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057196
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
2-(but-3-yn-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554480
3-(but-3-yn-2-ylamino)benzoic acid
CID 102823454

Frequently Asked Questions

What is the IUPAC name of 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid (CID 114417641) is 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid is C#CC(C)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is PQVYVGKSMNCPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-7(2)11-9-6-4-5-8(12-9)10(13)14/h1,4-7H,2H3,(H,11,12)(H,13,14).
What are the key properties of 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid?
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114417641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).