2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde

C15H19N3O4 — CID 142975779

IUPAC2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde
SMILESCN.COc1ccc(O)c(C(N)=O)c1.O=Cc1ccccn1
InChIInChI=1S/C8H9NO3.C6H5NO.CH5N/c1-12-5-2-3-7(10)6(4-5)8(9)11;8-5-6-3-1-2-4-7-6;1-2/h2-4,10H,1H3,(H2,9,11);1-5H;2H2,1H3
InChIKeyFNDCBRODGNLPML-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.97
Rot. Bonds3

About 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde

2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde (PubChem CID 142975779) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde
PubChem CID142975779
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde
SMILESCN.COc1ccc(O)c(C(N)=O)c1.O=Cc1ccccn1
InChIInChI=1S/C8H9NO3.C6H5NO.CH5N/c1-12-5-2-3-7(10)6(4-5)8(9)11;8-5-6-3-1-2-4-7-6;1-2/h2-4,10H,1H3,(H2,9,11);1-5H;2H2,1H3
InChIKeyFNDCBRODGNLPML-UHFFFAOYSA-N
XLogP0.97
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde?
The IUPAC name of 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde (CID 142975779) is 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde.
What is the SMILES notation for 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde?
The canonical SMILES for 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde is CN.COc1ccc(O)c(C(N)=O)c1.O=Cc1ccccn1.
What is the InChIKey of 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde?
The InChIKey is FNDCBRODGNLPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C6H5NO.CH5N/c1-12-5-2-3-7(10)6(4-5)8(9)11;8-5-6-3-1-2-4-7-6;1-2/h2-4,10H,1H3,(H2,9,11);1-5H;2H2,1H3.
What are the key properties of 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde?
2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde has a molecular weight of 305.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxybenzamide;methanamine;pyridine-2-carbaldehyde is sourced from PubChem (CID 142975779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).