3-imidazol-1-yl-2-pyridin-2-ylpropanal

C11H11N3O — CID 174716716

IUPAC3-imidazol-1-yl-2-pyridin-2-ylpropanal
SMILESO=CC(Cn1ccnc1)c1ccccn1
InChIInChI=1S/C11H11N3O/c15-8-10(7-14-6-5-12-9-14)11-3-1-2-4-13-11/h1-6,8-10H,7H2
InChIKeyAZYYTOUZWXNMHF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.26
Rot. Bonds4

About 3-imidazol-1-yl-2-pyridin-2-ylpropanal

3-imidazol-1-yl-2-pyridin-2-ylpropanal (PubChem CID 174716716) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-pyridin-2-ylpropanal.

Molecular Properties

Compound Name3-imidazol-1-yl-2-pyridin-2-ylpropanal
PubChem CID174716716
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-imidazol-1-yl-2-pyridin-2-ylpropanal
SMILESO=CC(Cn1ccnc1)c1ccccn1
InChIInChI=1S/C11H11N3O/c15-8-10(7-14-6-5-12-9-14)11-3-1-2-4-13-11/h1-6,8-10H,7H2
InChIKeyAZYYTOUZWXNMHF-UHFFFAOYSA-N
XLogP1.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
2-pyridin-2-ylpent-4-ynal
CID 89142381
6,13-bis(3-imidazol-1-ylpropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dichloride
CID 11982787
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
(2-imidazol-1-yl-1-phenylethyl) methanedithioate
CID 21421121
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 136579493
2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
benzaldehyde;1-benzylimidazole
CID 23446402
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-pyridin-2-ylpropanal?
The IUPAC name of 3-imidazol-1-yl-2-pyridin-2-ylpropanal (CID 174716716) is 3-imidazol-1-yl-2-pyridin-2-ylpropanal.
What is the SMILES notation for 3-imidazol-1-yl-2-pyridin-2-ylpropanal?
The canonical SMILES for 3-imidazol-1-yl-2-pyridin-2-ylpropanal is O=CC(Cn1ccnc1)c1ccccn1.
What is the InChIKey of 3-imidazol-1-yl-2-pyridin-2-ylpropanal?
The InChIKey is AZYYTOUZWXNMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-8-10(7-14-6-5-12-9-14)11-3-1-2-4-13-11/h1-6,8-10H,7H2.
What are the key properties of 3-imidazol-1-yl-2-pyridin-2-ylpropanal?
3-imidazol-1-yl-2-pyridin-2-ylpropanal has a molecular weight of 201.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-pyridin-2-ylpropanal is sourced from PubChem (CID 174716716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).