3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde

C14H12BrNO2 — CID 112549798

IUPAC3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
SMILESCc1cccnc1COc1ccc(C=O)cc1Br
InChIInChI=1S/C14H12BrNO2/c1-10-3-2-6-16-13(10)9-18-14-5-4-11(8-17)7-12(14)15/h2-8H,9H2,1H3
InChIKeyUQBBUQCMAXFEKX-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.54
Rot. Bonds4

About 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde

3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde (PubChem CID 112549798) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
PubChem CID112549798
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
SMILESCc1cccnc1COc1ccc(C=O)cc1Br
InChIInChI=1S/C14H12BrNO2/c1-10-3-2-6-16-13(10)9-18-14-5-4-11(8-17)7-12(14)15/h2-8H,9H2,1H3
InChIKeyUQBBUQCMAXFEKX-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.54
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-bromo-5-ethoxy-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 115981974
3-[(3-methyl-2-pyridinyl)methoxy]-4-nitrobenzaldehyde
CID 115886860
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 55025741
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
4-[(2-bromo-4-formylphenoxy)methyl]-3-methylbenzonitrile
CID 114482394
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043156
3-bromo-4-(3-hydroxy-2-methylpropoxy)benzaldehyde
CID 115870724

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde?
The IUPAC name of 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde (CID 112549798) is 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde?
The canonical SMILES for 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde is Cc1cccnc1COc1ccc(C=O)cc1Br.
What is the InChIKey of 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde?
The InChIKey is UQBBUQCMAXFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-10-3-2-6-16-13(10)9-18-14-5-4-11(8-17)7-12(14)15/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde?
3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde has a molecular weight of 306.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde is sourced from PubChem (CID 112549798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).