5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde

C13H11BrN2O3 — CID 71621759

IUPAC5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2Br)cn1
InChIInChI=1S/C13H11BrN2O3/c1-18-12-5-10(7-17)11(6-16-12)19-8-9-3-2-4-15-13(9)14/h2-7H,8H2,1H3
InChIKeyKOHRPFLLTVVPID-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.64
Rot. Bonds5

About 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde

5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde (PubChem CID 71621759) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde
PubChem CID71621759
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2Br)cn1
InChIInChI=1S/C13H11BrN2O3/c1-18-12-5-10(7-17)11(6-16-12)19-8-9-3-2-4-15-13(9)14/h2-7H,8H2,1H3
InChIKeyKOHRPFLLTVVPID-UHFFFAOYSA-N
XLogP2.64
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 85472987
2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622313
5-[[2-methanimidoyl-3-(methylamino)phenyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 145045544
4-ethenyl-2-methoxy-5-[[2-(4-methoxyphenyl)-3-pyridinyl]methoxy]pyridine
CID 90438074
2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 129020956
2-(2-methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
2-bromo-3-(methoxymethyl)pyridine;ethane
CID 144882027
5-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 90427296
5-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-2-methylpyridine-3-carboxylic acid
CID 146401797
5-[(1-acetyl-4-phenyl-3,6-dihydro-2H-pyridin-5-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
CID 86303718
2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 146401798
5-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 90427809

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde?
The IUPAC name of 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde (CID 71621759) is 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2Br)cn1.
What is the InChIKey of 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde?
The InChIKey is KOHRPFLLTVVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-12-5-10(7-17)11(6-16-12)19-8-9-3-2-4-15-13(9)14/h2-7H,8H2,1H3.
What are the key properties of 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde?
5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde has a molecular weight of 323.15 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 71621759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).