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

C12H13FN2O — CID 115405096

IUPAC2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2ccc(F)cn2c1C=O
InChIInChI=1S/C12H13FN2O/c1-3-8(2)12-10(7-16)15-6-9(13)4-5-11(15)14-12/h4-8H,3H2,1-2H3
InChIKeyZNRADXZRAKHPSM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.80
Rot. Bonds3

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

2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 115405096) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID115405096
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2ccc(F)cn2c1C=O
InChIInChI=1S/C12H13FN2O/c1-3-8(2)12-10(7-16)15-6-9(13)4-5-11(15)14-12/h4-8H,3H2,1-2H3
InChIKeyZNRADXZRAKHPSM-UHFFFAOYSA-N
XLogP2.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 115405096) is 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde is CCC(C)c1nc2ccc(F)cn2c1C=O.
What is the InChIKey of 2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is ZNRADXZRAKHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/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-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 2.80, 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-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 115405096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).