3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride

C9H12Cl2N2O — CID 145952745

IUPAC3-(4-methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride
SMILESCOC1=C(C=NC=C1)C#CCN.Cl.Cl
InChIInChI=1S/C9H10N2O.2ClH/c1-12-9-4-6-11-7-8(9)3-2-5-10;;/h4,6-7H,5,10H2,1H3;2*1H
InChIKeyPHMMINVMDKDZGQ-UHFFFAOYSA-N
MW235.11 g/mol
LogP—
Rot. Bonds2

About 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride

3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride (PubChem CID 145952745) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-(4-methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride
PubChem CID145952745
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name3-(4-methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride
SMILESCOC1=C(C=NC=C1)C#CCN.Cl.Cl
InChIInChI=1S/C9H10N2O.2ClH/c1-12-9-4-6-11-7-8(9)3-2-5-10;;/h4,6-7H,5,10H2,1H3;2*1H
InChIKeyPHMMINVMDKDZGQ-UHFFFAOYSA-N
XLogP—
TPSA48.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Iodo-4-methoxypyridine
CID 902131
4-Methoxypyridine
CID 69278
4-Ethoxypyridine
CID 141781
2-Chloro-3-cyano-4-methoxypyridine
CID 1470930
4-Methoxy-nicotinonitrile
CID 2755887
4-(Prop-2-YN-1-yloxy)pyridine
CID 12355699
2-Fluoro-4-methoxypyridine
CID 21464361
N-ethyl-2-(4-methoxy-3-pyridinyl)-N-methylethanamine
CID 44403261
4-Methoxy-1-oxidopyridin-1-ium-3-carbonitrile
CID 45079694
Pyridinium, 4-methoxy-1-methyl-
CID 181751
Methyl 3-methyl-1-oxidopyridin-4-yl ether
CID 817250
4-Ethenoxypyridine
CID 15102885

Frequently Asked Questions

What is the IUPAC name of 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride?
The IUPAC name of 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride (CID 145952745) is 3-(4-methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride.
What is the SMILES notation for 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride?
The canonical SMILES for 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride is COC1=C(C=NC=C1)C#CCN.Cl.Cl.
What is the InChIKey of 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride?
The InChIKey is PHMMINVMDKDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.2ClH/c1-12-9-4-6-11-7-8(9)3-2-5-10;;/h4,6-7H,5,10H2,1H3;2*1H.
What are the key properties of 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride?
3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride has a molecular weight of 235.11 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Methoxy-3-pyridinyl)prop-2-yn-1-amine;dihydrochloride is sourced from PubChem (CID 145952745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).