sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate

C38H37Br5N7NaO8 — CID 158046657

About sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate

sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate (PubChem CID 158046657) has the molecular formula C38H37Br5N7NaO8 and a molecular weight of 1142.26 g/mol. Its IUPAC name is sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate.

Molecular Properties

• Compound Name: sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate
• PubChem CID: 158046657
• Molecular Formula: C38H37Br5N7NaO8
• Molecular Weight: 1142.26 g/mol
• Exact Mass: 1136.85
• IUPAC Name: sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate
• SMILES: CCc1cc(Br)ccn1.COC(=O)c1cc(Br)ccn1.O=CCCc1cc(Br)ccn1.O=CN(C=O)Cc1cc(Br)ccn1.O=C[N-]C=O.OCc1cc(Br)ccn1.[Na+]
• InChI: InChI=1S/C8H7BrN2O2.C8H8BrNO.C7H6BrNO2.C7H8BrN.C6H6BrNO.C2H3NO2.Na/c9-7-1-2-10-8(3-7)4-11(5-12)6-13;9-7-3-4-10-8(6-7)2-1-5-11;1-11-7(10)6-4-5(8)2-3-9-6;1-2-7-5-6(8)3-4-9-7;7-5-1-2-8-6(3-5)4-9;4-1-3-2-5;/h1-3,5-6H,4H2;3-6H,1-2H2;2-4H,1H3;3-5H,2H2,1H3;1-3,9H,4H2;1-2H,(H,3,4,5);/q;;;;;;+1/p-1
• InChIKey: FIZMRSLCNMXYJV-UHFFFAOYSA-M
• XLogP: 4.99
• TPSA: 213.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1142.26
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate?

The IUPAC name of sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate (CID 158046657) is sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate.

What is the SMILES notation for sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate?

The canonical SMILES for sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate is CCc1cc(Br)ccn1.COC(=O)c1cc(Br)ccn1.O=CCCc1cc(Br)ccn1.O=CN(C=O)Cc1cc(Br)ccn1.O=C[N-]C=O.OCc1cc(Br)ccn1.[Na+].

What is the InChIKey of sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate?

The InChIKey is FIZMRSLCNMXYJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7BrN2O2.C8H8BrNO.C7H6BrNO2.C7H8BrN.C6H6BrNO.C2H3NO2.Na/c9-7-1-2-10-8(3-7)4-11(5-12)6-13;9-7-3-4-10-8(6-7)2-1-5-11;1-11-7(10)6-4-5(8)2-3-9-6;1-2-7-5-6(8)3-4-9-7;7-5-1-2-8-6(3-5)4-9;4-1-3-2-5;/h1-3,5-6H,4H2;3-6H,1-2H2;2-4H,1H3;3-5H,2H2,1H3;1-3,9H,4H2;1-2H,(H,3,4,5);/q;;;;;;+1/p-1.

What are the key properties of sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate?

sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate has a molecular weight of 1142.26 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-2-ethylpyridine;(4-bromo-2-pyridinyl)methanol;N-[(4-bromo-2-pyridinyl)methyl]-N-formylformamide;3-(4-bromo-2-pyridinyl)propanal;diformylazanide;methyl 4-bromopyridine-2-carboxylate is sourced from PubChem (CID 158046657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).