2-methanimidoylpyridine-3-carbaldehyde

C7H6N2O — CID 139520379

IUPAC2-methanimidoylpyridine-3-carbaldehyde
SMILES[H]/N=C/c1ncccc1C=O
InChIInChI=1S/C7H6N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-5,8H/b8-4+
InChIKeyTXGKXQLDKQZBFD-XBXARRHUSA-N
MW134.14 g/mol
LogP0.89
Rot. Bonds2

About 2-methanimidoylpyridine-3-carbaldehyde

2-methanimidoylpyridine-3-carbaldehyde (PubChem CID 139520379) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-methanimidoylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methanimidoylpyridine-3-carbaldehyde
PubChem CID139520379
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2-methanimidoylpyridine-3-carbaldehyde
SMILES[H]/N=C/c1ncccc1C=O
InChIInChI=1S/C7H6N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-5,8H/b8-4+
InChIKeyTXGKXQLDKQZBFD-XBXARRHUSA-N
XLogP0.89
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
CID 170481627
2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde
CID 170476320
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
2-aminosulfanylpyridine-3-carbaldehyde
CID 155744539
2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde
CID 141207164
[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine
CID 87826913
3-formylpyridine-2-sulfonic acid
CID 87563681
(3-formyl-2-pyridinyl)boronic acid
CID 130822828
2-(4-bromophenyl)pyridine-3-carbaldehyde
CID 82380052
S-[3-(3-formyl-2-pyridinyl)prop-2-enyl] ethanethioate
CID 169456965
(2-formyl-3-pyridinyl) hypoiodite
CID 87756463
3-piperidin-1-ylpyridine-2-carbaldehyde
CID 84662702

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoylpyridine-3-carbaldehyde?
The IUPAC name of 2-methanimidoylpyridine-3-carbaldehyde (CID 139520379) is 2-methanimidoylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-methanimidoylpyridine-3-carbaldehyde?
The canonical SMILES for 2-methanimidoylpyridine-3-carbaldehyde is [H]/N=C/c1ncccc1C=O.
What is the InChIKey of 2-methanimidoylpyridine-3-carbaldehyde?
The InChIKey is TXGKXQLDKQZBFD-XBXARRHUSA-N. The full InChI is InChI=1S/C7H6N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-5,8H/b8-4+.
What are the key properties of 2-methanimidoylpyridine-3-carbaldehyde?
2-methanimidoylpyridine-3-carbaldehyde has a molecular weight of 134.14 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylpyridine-3-carbaldehyde is sourced from PubChem (CID 139520379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).