2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde

C14H12BrNO — CID 87323666

IUPAC2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde
SMILESCc1ccc(CC=O)c(-c2cc(Br)ccn2)c1
InChIInChI=1S/C14H12BrNO/c1-10-2-3-11(5-7-17)13(8-10)14-9-12(15)4-6-16-14/h2-4,6-9H,5H2,1H3
InChIKeyRNFWFNDTPHWGTN-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.56
Rot. Bonds3

About 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde

2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde (PubChem CID 87323666) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde
PubChem CID87323666
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde
SMILESCc1ccc(CC=O)c(-c2cc(Br)ccn2)c1
InChIInChI=1S/C14H12BrNO/c1-10-2-3-11(5-7-17)13(8-10)14-9-12(15)4-6-16-14/h2-4,6-9H,5H2,1H3
InChIKeyRNFWFNDTPHWGTN-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.56
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-(4-bromo-2-pyridinyl)acetaldehyde
CID 53403630
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
1-[2-(4-bromo-2-pyridinyl)-4-chlorophenyl]propan-1-one
CID 174673419
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde
CID 146273672
3-(4-bromo-2-pyridinyl)propanal
CID 158046658
2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene
CID 58251606
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde
CID 83878089
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde?
The IUPAC name of 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde (CID 87323666) is 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde?
The canonical SMILES for 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde is Cc1ccc(CC=O)c(-c2cc(Br)ccn2)c1.
What is the InChIKey of 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde?
The InChIKey is RNFWFNDTPHWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-2-3-11(5-7-17)13(8-10)14-9-12(15)4-6-16-14/h2-4,6-9H,5H2,1H3.
What are the key properties of 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde?
2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde has a molecular weight of 290.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-pyridinyl)-4-methylphenyl]acetaldehyde is sourced from PubChem (CID 87323666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).