methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride

C10H11ClN2O2 — CID 163333350

IUPACmethyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cncc(C#CCN)c1.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-14-10(13)9-5-8(3-2-4-11)6-12-7-9;/h5-7H,4,11H2,1H3;1H
InChIKeyFQTHZNDOJMVLSL-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.60
Rot. Bonds1

About methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride

methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride (PubChem CID 163333350) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
PubChem CID163333350
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Namemethyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cncc(C#CCN)c1.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-14-10(13)9-5-8(3-2-4-11)6-12-7-9;/h5-7H,4,11H2,1H3;1H
InChIKeyFQTHZNDOJMVLSL-UHFFFAOYSA-N
XLogP0.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[4-(methylamino)but-1-ynyl]pyridine-3-carboxylate
CID 170464733
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 62086672
5-(3-aminoprop-1-ynyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54974505
5-(4-methoxy-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170469537
methyl 5-(3-aminoprop-1-enyl)pyridine-3-carboxylate
CID 169463930
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
methyl 5-ethylpyridine-3-carboxylate
CID 5323747

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride (CID 163333350) is methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride is COC(=O)c1cncc(C#CCN)c1.Cl.
What is the InChIKey of methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is FQTHZNDOJMVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c1-14-10(13)9-5-8(3-2-4-11)6-12-7-9;/h5-7H,4,11H2,1H3;1H.
What are the key properties of methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride?
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 163333350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).