2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

C12H13ClN2O — CID 115405149

IUPAC2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2ccc(Cl)cn2c1C=O
InChIInChI=1S/C12H13ClN2O/c1-3-8(2)12-10(7-16)15-6-9(13)4-5-11(15)14-12/h4-8H,3H2,1-2H3
InChIKeyVYUPIIALXBALFV-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.31
Rot. Bonds3

About 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 115405149) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID115405149
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2ccc(Cl)cn2c1C=O
InChIInChI=1S/C12H13ClN2O/c1-3-8(2)12-10(7-16)15-6-9(13)4-5-11(15)14-12/h4-8H,3H2,1-2H3
InChIKeyVYUPIIALXBALFV-UHFFFAOYSA-N
XLogP3.31
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.31
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

2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405096
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 88901019
2,6-dichloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 14963394
6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82530278
6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405135
2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405155
6-chloro-2-(1-methoxypropan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 116503174
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688047
2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 115405211
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134126

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 115405149) is 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde is CCC(C)c1nc2ccc(Cl)cn2c1C=O.
What is the InChIKey of 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is VYUPIIALXBALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-3-8(2)12-10(7-16)15-6-9(13)4-5-11(15)14-12/h4-8H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 236.70 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 115405149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).