5-bromo-6-methylpyridine-2-carbaldehyde

C7H6BrNO — CID 15094704

IUPAC5-bromo-6-methylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)ccc1Br
InChIInChI=1S/C7H6BrNO/c1-5-7(8)3-2-6(4-10)9-5/h2-4H,1H3
InChIKeyBXPXGQBIEVDVOW-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.97
Rot. Bonds1

About 5-bromo-6-methylpyridine-2-carbaldehyde

5-bromo-6-methylpyridine-2-carbaldehyde (PubChem CID 15094704) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 5-bromo-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-methylpyridine-2-carbaldehyde
PubChem CID15094704
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name5-bromo-6-methylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)ccc1Br
InChIInChI=1S/C7H6BrNO/c1-5-7(8)3-2-6(4-10)9-5/h2-4H,1H3
InChIKeyBXPXGQBIEVDVOW-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetyl-6-methylpyridine
CID 138872
2,6-Diacetylpyridine
CID 70790
2-Acetyl-6-bromopyridine
CID 11298578
2,6-Diformylpyridine
CID 79485
6-Methyl-2-pyridinecarboxaldehyde
CID 70737
6-Bromopyridine-2-carbaldehyde
CID 2757009
4,6-Dimethylpyridine-2-carbaldehyde
CID 225519
5-Bromopyridine-2-carbaldehyde
CID 9877562
3-Bromopyridine-2-carbaldehyde
CID 16414231
3,5-Dibromopyridine-2-carboxaldehyde
CID 20129826
6-Bromopyridine-2-carboxamide
CID 21961408
2-Se,6-Se-dimethyl pyridine-2,6-dicarboselenoate
CID 76318077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-6-methylpyridine-2-carbaldehyde (CID 15094704) is 5-bromo-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-6-methylpyridine-2-carbaldehyde is Cc1nc(C=O)ccc1Br.
What is the InChIKey of 5-bromo-6-methylpyridine-2-carbaldehyde?
The InChIKey is BXPXGQBIEVDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c1-5-7(8)3-2-6(4-10)9-5/h2-4H,1H3.
What are the key properties of 5-bromo-6-methylpyridine-2-carbaldehyde?
5-bromo-6-methylpyridine-2-carbaldehyde has a molecular weight of 200.03 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 15094704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).