3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde

C9H7BrN2O2 — CID 84708360

IUPAC3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCOc1ccn2c(Br)c(C=O)nc2c1
InChIInChI=1S/C9H7BrN2O2/c1-14-6-2-3-12-8(4-6)11-7(5-13)9(12)10/h2-5H,1H3
InChIKeyDPWGFOISELXLEW-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.92
Rot. Bonds2

About 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde

3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 84708360) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID84708360
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCOc1ccn2c(Br)c(C=O)nc2c1
InChIInChI=1S/C9H7BrN2O2/c1-14-6-2-3-12-8(4-6)11-7(5-13)9(12)10/h2-5H,1H3
InChIKeyDPWGFOISELXLEW-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde
CID 2748881
7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
CID 105436739
7-bromo-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744943
2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde
CID 117253977
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 170900003
8-methoxy-2-phenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 132508794
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 105432579
1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117254464
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105459905
2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115024623
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde (CID 84708360) is 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde is COc1ccn2c(Br)c(C=O)nc2c1.
What is the InChIKey of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is DPWGFOISELXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-6-2-3-12-8(4-6)11-7(5-13)9(12)10/h2-5H,1H3.
What are the key properties of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde?
3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 255.07 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 84708360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).