3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde

C8H8BrNO2 — CID 126673304

IUPAC3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(Br)c(C)n1
InChIInChI=1S/C8H8BrNO2/c1-5-8(9)6(4-11)3-7(10-5)12-2/h3-4H,1-2H3
InChIKeySWXGKCGKWTZDAL-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.97
Rot. Bonds2

About 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde

3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde (PubChem CID 126673304) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde
PubChem CID126673304
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(Br)c(C)n1
InChIInChI=1S/C8H8BrNO2/c1-5-8(9)6(4-11)3-7(10-5)12-2/h3-4H,1-2H3
InChIKeySWXGKCGKWTZDAL-UHFFFAOYSA-N
XLogP1.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 130087961
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
N-(6-methoxy-2,4-dimethyl-3-pyridinyl)formamide
CID 176936820
3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
CID 84652102
6-methoxy-2-methylpyridine-3-carbaldehyde;(6-methoxy-2-methyl-3-pyridinyl)methanol
CID 160848929
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
CID 46835261
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde (CID 126673304) is 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde is COc1cc(C=O)c(Br)c(C)n1.
What is the InChIKey of 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde?
The InChIKey is SWXGKCGKWTZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-5-8(9)6(4-11)3-7(10-5)12-2/h3-4H,1-2H3.
What are the key properties of 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde?
3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde has a molecular weight of 230.06 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 126673304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).