6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine

C10H7N3 — CID 140737263

IUPAC6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(C=C)cn12
InChIInChI=1S/C10H7N3/c1-3-8-4-5-9-12-6-10(11-2)13(9)7-8/h3-7H,1H2
InChIKeyFRYXFHAHOUQGEV-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.53
Rot. Bonds1

About 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine

6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 140737263) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID140737263
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(C=C)cn12
InChIInChI=1S/C10H7N3/c1-3-8-4-5-9-12-6-10(11-2)13(9)7-8/h3-7H,1H2
InChIKeyFRYXFHAHOUQGEV-UHFFFAOYSA-N
XLogP2.53
TPSA21.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;methane
CID 161388743
6-bromo-3-ethenylimidazo[1,2-a]pyridine
CID 177367415
6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434205
6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 161438503
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737268
6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140738843
1-ethenyl-4-isocyanobenzene
CID 21191582
6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434340
6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 157297472
3-isocyano-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 153434233
6-[5-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434315
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine (CID 140737263) is 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(C=C)cn12.
What is the InChIKey of 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is FRYXFHAHOUQGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-3-8-4-5-9-12-6-10(11-2)13(9)7-8/h3-7H,1H2.
What are the key properties of 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine?
6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 169.19 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 140737263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).