6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde

C12H13N3O — CID 80632359

IUPAC6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1cnc(C)c1C
InChIInChI=1S/C12H13N3O/c1-8-4-11(6-16)5-13-12(8)15-7-14-9(2)10(15)3/h4-7H,1-3H3
InChIKeyRTVMVSIHQLZBSY-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.01
Rot. Bonds2

About 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde

6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde (PubChem CID 80632359) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde
PubChem CID80632359
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1cnc(C)c1C
InChIInChI=1S/C12H13N3O/c1-8-4-11(6-16)5-13-12(8)15-7-14-9(2)10(15)3/h4-7H,1-3H3
InChIKeyRTVMVSIHQLZBSY-UHFFFAOYSA-N
XLogP2.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.01
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

4-(4,5-dimethylimidazol-1-yl)-3-methylbenzaldehyde
CID 62352057
5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
CID 80632719
6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde
CID 82694898
6-(3,5-dioxopiperazin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631216
5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80637128
5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde
CID 80631834
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 83220002
5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
CID 80631830
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80637820
5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80636949
6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80636958

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde (CID 80632359) is 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1-n1cnc(C)c1C.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is RTVMVSIHQLZBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-11(6-16)5-13-12(8)15-7-14-9(2)10(15)3/h4-7H,1-3H3.
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde?
6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 215.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylimidazol-1-yl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80632359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).