(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate

C14H10N2O3 — CID 135030601

IUPAC(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
SMILESO=C(O)Oc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C14H10N2O3/c17-14(18)19-12-6-2-1-5-10(12)11-9-16-8-4-3-7-13(16)15-11/h1-9H,(H,17,18)
InChIKeyKXMBSTQZPIPEQE-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.06
Rot. Bonds2

About (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate

(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate (PubChem CID 135030601) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
PubChem CID135030601
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
SMILESO=C(O)Oc1ccccc1-c1cn2ccccc2n1
InChIInChI=1S/C14H10N2O3/c17-14(18)19-12-6-2-1-5-10(12)11-9-16-8-4-3-7-13(16)15-11/h1-9H,(H,17,18)
InChIKeyKXMBSTQZPIPEQE-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate
CID 172740674
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121148942
3-amino-4-imidazo[1,2-a]pyridin-2-ylpyrazole-1-carboxamide
CID 70501209
2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234050
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 121148988
methyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135447
N-(4-chlorophenyl)-2-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 132528901
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)furan-3-carboxamide
CID 121149015
methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
CID 121149702
3-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 119099857
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
CID 121149649
1-cyclopentyl-3-(2-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121149732

Frequently Asked Questions

What is the IUPAC name of (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate?
The IUPAC name of (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate (CID 135030601) is (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate.
What is the SMILES notation for (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate?
The canonical SMILES for (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate is O=C(O)Oc1ccccc1-c1cn2ccccc2n1.
What is the InChIKey of (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate?
The InChIKey is KXMBSTQZPIPEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(18)19-12-6-2-1-5-10(12)11-9-16-8-4-3-7-13(16)15-11/h1-9H,(H,17,18).
What are the key properties of (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate?
(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate has a molecular weight of 254.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate is sourced from PubChem (CID 135030601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).