2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C16H13N3O5 — CID 146401798

IUPAC2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCOc1cc(C=O)c(OCc2cn3cccc(C(=O)O)c3n2)cn1
InChIInChI=1S/C16H13N3O5/c1-23-14-5-10(8-20)13(6-17-14)24-9-11-7-19-4-2-3-12(16(21)22)15(19)18-11/h2-8H,9H2,1H3,(H,21,22)
InChIKeyZXPIHTSAIJEBKW-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.83
Rot. Bonds6

About 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid

2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 146401798) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID146401798
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCOc1cc(C=O)c(OCc2cn3cccc(C(=O)O)c3n2)cn1
InChIInChI=1S/C16H13N3O5/c1-23-14-5-10(8-20)13(6-17-14)24-9-11-7-19-4-2-3-12(16(21)22)15(19)18-11/h2-8H,9H2,1H3,(H,21,22)
InChIKeyZXPIHTSAIJEBKW-UHFFFAOYSA-N
XLogP1.83
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256740
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 85472987
1-[2-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529670
5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71621759
3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridine-2-carboxylic acid
CID 61380449
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
2-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83824882
N-(3,4-dimethoxyphenyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 38015149
N'-(4-methoxybenzoyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzohydrazide
CID 24653958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 146401798) is 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid is COc1cc(C=O)c(OCc2cn3cccc(C(=O)O)c3n2)cn1.
What is the InChIKey of 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ZXPIHTSAIJEBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-23-14-5-10(8-20)13(6-17-14)24-9-11-7-19-4-2-3-12(16(21)22)15(19)18-11/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 327.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 146401798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).