6-(bromomethyl)pyridine-3-carbaldehyde

C7H6BrNO — CID 53404436

IUPAC6-(bromomethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(CBr)nc1
InChIInChI=1S/C7H6BrNO/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H,3H2
InChIKeyNMNJWXQEKPTCSN-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.79
Rot. Bonds2

About 6-(bromomethyl)pyridine-3-carbaldehyde

6-(bromomethyl)pyridine-3-carbaldehyde (PubChem CID 53404436) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 6-(bromomethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)pyridine-3-carbaldehyde
PubChem CID53404436
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name6-(bromomethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(CBr)nc1
InChIInChI=1S/C7H6BrNO/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H,3H2
InChIKeyNMNJWXQEKPTCSN-UHFFFAOYSA-N
XLogP1.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinecarboxaldehyde
CID 10371
3-Acetylpyridine
CID 9589
2-Pyridinecarboxaldehyde
CID 14273
5-Bromo-3-pyridinecarboxaldehyde
CID 2784734
3-Acetyl-6-methylpyridine
CID 95292
5-Methylpyridine-3-carbaldehyde
CID 14141158
2-Fluoro-5-formylpyridine
CID 16414246
gamma-Oxo-3-pyridinebutanal
CID 115084
6-Methylnicotinamide
CID 96351
2-Bromonicotinaldehyde
CID 4714951
2-Methylnicotinamide
CID 12243705
3-(Dimethylamino)-1-(6-methyl-3-pyridinyl)-2-propen-1-one
CID 5714022

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(bromomethyl)pyridine-3-carbaldehyde (CID 53404436) is 6-(bromomethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)pyridine-3-carbaldehyde is O=Cc1ccc(CBr)nc1.
What is the InChIKey of 6-(bromomethyl)pyridine-3-carbaldehyde?
The InChIKey is NMNJWXQEKPTCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H,3H2.
What are the key properties of 6-(bromomethyl)pyridine-3-carbaldehyde?
6-(bromomethyl)pyridine-3-carbaldehyde has a molecular weight of 200.03 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 53404436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).