2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C15H12N2O2 — CID 117130318

IUPAC2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3cccc(O)c3)cn2c1
InChIInChI=1S/C15H12N2O2/c18-10-12-4-5-15-16-13(9-17(15)8-12)6-11-2-1-3-14(19)7-11/h1-5,7-10,19H,6H2
InChIKeyYWEKOOORLDUGLR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.44
Rot. Bonds3

About 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117130318) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117130318
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3cccc(O)c3)cn2c1
InChIInChI=1S/C15H12N2O2/c18-10-12-4-5-15-16-13(9-17(15)8-12)6-11-2-1-3-14(19)7-11/h1-5,7-10,19H,6H2
InChIKeyYWEKOOORLDUGLR-UHFFFAOYSA-N
XLogP2.44
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130452
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572
2-benzylimidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134926
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479
[2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223496
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
6-formylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 23155605
2-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223597
2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129769
4-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]phenol
CID 117135218
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117130318) is 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(Cc3cccc(O)c3)cn2c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is YWEKOOORLDUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-10-12-4-5-15-16-13(9-17(15)8-12)6-11-2-1-3-14(19)7-11/h1-5,7-10,19H,6H2.
What are the key properties of 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117130318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).