2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde

C9H10N2O — CID 176942932

IUPAC2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde
SMILESC=C(C)c1ccc(C=O)c(N)n1
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-12)9(10)11-8/h3-5H,1H2,2H3,(H2,10,11)
InChIKeyIIYVWEKQILDRBT-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.51
Rot. Bonds2

About 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde

2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde (PubChem CID 176942932) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde
PubChem CID176942932
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde
SMILESC=C(C)c1ccc(C=O)c(N)n1
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-12)9(10)11-8/h3-5H,1H2,2H3,(H2,10,11)
InChIKeyIIYVWEKQILDRBT-UHFFFAOYSA-N
XLogP1.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde (CID 176942932) is 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde is C=C(C)c1ccc(C=O)c(N)n1.
What is the InChIKey of 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
The InChIKey is IIYVWEKQILDRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-12)9(10)11-8/h3-5H,1H2,2H3,(H2,10,11).
What are the key properties of 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-prop-1-en-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 176942932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).