5-bromo-3,6-dimethoxypyridine-2-carbaldehyde

C8H8BrNO3 — CID 176871253

IUPAC5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
SMILESCOc1cc(Br)c(OC)nc1C=O
InChIInChI=1S/C8H8BrNO3/c1-12-7-3-5(9)8(13-2)10-6(7)4-11/h3-4H,1-2H3
InChIKeyWPLZGFMJWCSPLZ-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.67
Rot. Bonds3

About 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde

5-bromo-3,6-dimethoxypyridine-2-carbaldehyde (PubChem CID 176871253) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
PubChem CID176871253
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
SMILESCOc1cc(Br)c(OC)nc1C=O
InChIInChI=1S/C8H8BrNO3/c1-12-7-3-5(9)8(13-2)10-6(7)4-11/h3-4H,1-2H3
InChIKeyWPLZGFMJWCSPLZ-UHFFFAOYSA-N
XLogP1.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-5,6-dimethoxypyridine
CID 23056693
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
5-bromo-3-methoxypyrazine-2-carbaldehyde
CID 139415839
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
CID 156813524
CID 156813524
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
(E)-2-(5-bromo-6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethenamine
CID 166021888
2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
CID 16637937
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde (CID 176871253) is 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde is COc1cc(Br)c(OC)nc1C=O.
What is the InChIKey of 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde?
The InChIKey is WPLZGFMJWCSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-12-7-3-5(9)8(13-2)10-6(7)4-11/h3-4H,1-2H3.
What are the key properties of 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde?
5-bromo-3,6-dimethoxypyridine-2-carbaldehyde has a molecular weight of 246.06 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,6-dimethoxypyridine-2-carbaldehyde is sourced from PubChem (CID 176871253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).