2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid

C16H14N2O2 — CID 82223479

IUPAC2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1cccc(Cc2cn3cc(C(=O)O)ccc3n2)c1
InChIInChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)8-14-10-18-9-13(16(19)20)5-6-15(18)17-14/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyKPDBOAFLYRSUHR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds3

About 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid

2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 82223479) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID82223479
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1cccc(Cc2cn3cc(C(=O)O)ccc3n2)c1
InChIInChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)8-14-10-18-9-13(16(19)20)5-6-15(18)17-14/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyKPDBOAFLYRSUHR-UHFFFAOYSA-N
XLogP2.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223496
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130528
2-methyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704167
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140304
2-(2-aminoethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82372253
2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130963
2-[(2-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117256132
5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 117132587
2-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130318
2-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine
CID 117134964
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3-methylphenyl)propanamide
CID 110672012

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 82223479) is 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1cccc(Cc2cn3cc(C(=O)O)ccc3n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is KPDBOAFLYRSUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-2-4-12(7-11)8-14-10-18-9-13(16(19)20)5-6-15(18)17-14/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82223479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).