methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate

C10H10N2O2 — CID 122241887

IUPACmethyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C#CCN)n1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9-6-2-4-8(12-9)5-3-7-11/h2,4,6H,7,11H2,1H3
InChIKeyZAIYGAKVEYQRFC-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.18
Rot. Bonds1

About methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate

methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate (PubChem CID 122241887) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate
PubChem CID122241887
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C#CCN)n1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9-6-2-4-8(12-9)5-3-7-11/h2,4,6H,7,11H2,1H3
InChIKeyZAIYGAKVEYQRFC-UHFFFAOYSA-N
XLogP0.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-(3-sulfanylprop-1-ynyl)pyridine-2-carboxylate
CID 169487202
6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide
CID 171808981
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 62874149
methyl 6-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]pyridine-2-carboxylate
CID 58516778
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002399
6-(3-sulfanylprop-1-ynyl)pyridine-2-carboxylic acid
CID 169486616
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
CID 60814632

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate (CID 122241887) is methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate is COC(=O)c1cccc(C#CCN)n1.
What is the InChIKey of methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate?
The InChIKey is ZAIYGAKVEYQRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)9-6-2-4-8(12-9)5-3-7-11/h2,4,6H,7,11H2,1H3.
What are the key properties of methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate?
methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate is sourced from PubChem (CID 122241887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).