2-imidazol-1-yl-1-pyridin-3-ylethanone

C10H9N3O — CID 70494424

IUPAC2-imidazol-1-yl-1-pyridin-3-ylethanone
SMILESO=C(Cn1ccnc1)c1cccnc1
InChIInChI=1S/C10H9N3O/c14-10(7-13-5-4-12-8-13)9-2-1-3-11-6-9/h1-6,8H,7H2
InChIKeyFYDMPYYJZRRIFX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.16
Rot. Bonds3

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

2-imidazol-1-yl-1-pyridin-3-ylethanone (PubChem CID 70494424) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-pyridin-3-ylethanone
PubChem CID70494424
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-imidazol-1-yl-1-pyridin-3-ylethanone
SMILESO=C(Cn1ccnc1)c1cccnc1
InChIInChI=1S/C10H9N3O/c14-10(7-13-5-4-12-8-13)9-2-1-3-11-6-9/h1-6,8H,7H2
InChIKeyFYDMPYYJZRRIFX-UHFFFAOYSA-N
XLogP1.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
CID 14988698
5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid
CID 15191808
1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
CID 117068688
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid
CID 67795609
N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide
CID 3059770
1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
CID 54279792
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone
CID 23627079
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-pyridin-3-ylethanone?
The IUPAC name of 2-imidazol-1-yl-1-pyridin-3-ylethanone (CID 70494424) is 2-imidazol-1-yl-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-pyridin-3-ylethanone?
The canonical SMILES for 2-imidazol-1-yl-1-pyridin-3-ylethanone is O=C(Cn1ccnc1)c1cccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-pyridin-3-ylethanone?
The InChIKey is FYDMPYYJZRRIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(7-13-5-4-12-8-13)9-2-1-3-11-6-9/h1-6,8H,7H2.
What are the key properties of 2-imidazol-1-yl-1-pyridin-3-ylethanone?
2-imidazol-1-yl-1-pyridin-3-ylethanone has a molecular weight of 187.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-pyridin-3-ylethanone is sourced from PubChem (CID 70494424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).