5-ethynyl-3-methoxypyridin-2-amine

C8H8N2O — CID 74890841

IUPAC5-ethynyl-3-methoxypyridin-2-amine
SMILESC#Cc1cnc(N)c(OC)c1
InChIInChI=1S/C8H8N2O/c1-3-6-4-7(11-2)8(9)10-5-6/h1,4-5H,2H3,(H2,9,10)
InChIKeyXGXDOQXXFSSGGQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.65
Rot. Bonds1

About 5-ethynyl-3-methoxypyridin-2-amine

5-ethynyl-3-methoxypyridin-2-amine (PubChem CID 74890841) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-ethynyl-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-ethynyl-3-methoxypyridin-2-amine
PubChem CID74890841
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-ethynyl-3-methoxypyridin-2-amine
SMILESC#Cc1cnc(N)c(OC)c1
InChIInChI=1S/C8H8N2O/c1-3-6-4-7(11-2)8(9)10-5-6/h1,4-5H,2H3,(H2,9,10)
InChIKeyXGXDOQXXFSSGGQ-UHFFFAOYSA-N
XLogP0.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-methoxypyridine-3-carbonitrile
CID 89437143
5-ethynyl-3-fluoropyridin-2-amine
CID 74892202
3-chloro-5-ethynyl-2-methoxypyridine
CID 74890928
5-ethynyl-2-iodo-1,3-dimethoxybenzene
CID 134860651
3-methoxy-5-(2-methylbutan-2-yl)pyridin-2-amine
CID 66596227
ethane;4-ethynyl-1,2-dimethoxybenzene
CID 91460620
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
CID 175646944
1-bromo-4-ethynyl-2-methoxybenzene
CID 131857693
(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium
CID 174655051
5-ethynylpyrimidine;4-fluoro-1,2-dimethoxybenzene
CID 142838776
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
2-(6,7-dimethoxyquinazolin-4-yl)-4-ethynylaniline
CID 139771354

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-3-methoxypyridin-2-amine?
The IUPAC name of 5-ethynyl-3-methoxypyridin-2-amine (CID 74890841) is 5-ethynyl-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-ethynyl-3-methoxypyridin-2-amine?
The canonical SMILES for 5-ethynyl-3-methoxypyridin-2-amine is C#Cc1cnc(N)c(OC)c1.
What is the InChIKey of 5-ethynyl-3-methoxypyridin-2-amine?
The InChIKey is XGXDOQXXFSSGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-3-6-4-7(11-2)8(9)10-5-6/h1,4-5H,2H3,(H2,9,10).
What are the key properties of 5-ethynyl-3-methoxypyridin-2-amine?
5-ethynyl-3-methoxypyridin-2-amine has a molecular weight of 148.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3-methoxypyridin-2-amine is sourced from PubChem (CID 74890841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).