6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

C16H13ClN2O — CID 82530278

IUPAC6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(Cc2nc3ccc(Cl)cn3c2C=O)cc1
InChIInChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)8-14-15(10-20)19-9-13(17)6-7-16(19)18-14/h2-7,9-10H,8H2,1H3
InChIKeyRBAOTWSGXYJRFM-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.70
Rot. Bonds3

About 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82530278) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82530278
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccc(Cc2nc3ccc(Cl)cn3c2C=O)cc1
InChIInChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)8-14-15(10-20)19-9-13(17)6-7-16(19)18-14/h2-7,9-10H,8H2,1H3
InChIKeyRBAOTWSGXYJRFM-UHFFFAOYSA-N
XLogP3.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.70
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

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 88901019
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529905
[6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 82223169
2,6-dichloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 14963394
8-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529082
2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405149
6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 46904877
6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 94963899
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82223320
2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688047
2-(4-chloro-3-methylphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688057
4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 51360052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 82530278) is 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccc(Cc2nc3ccc(Cl)cn3c2C=O)cc1.
What is the InChIKey of 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is RBAOTWSGXYJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)8-14-15(10-20)19-9-13(17)6-7-16(19)18-14/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 284.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82530278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).