4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde

C10H8FN3O — CID 112586582

IUPAC4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1-c1ccc(F)cn1
InChIInChI=1S/C10H8FN3O/c1-6-10(14-9(5-15)13-6)8-3-2-7(11)4-12-8/h2-5H,1H3,(H,13,14)
InChIKeyHDYLIZDJCDMBMI-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.73
Rot. Bonds2

About 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde

4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde (PubChem CID 112586582) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
PubChem CID112586582
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1-c1ccc(F)cn1
InChIInChI=1S/C10H8FN3O/c1-6-10(14-9(5-15)13-6)8-3-2-7(11)4-12-8/h2-5H,1H3,(H,13,14)
InChIKeyHDYLIZDJCDMBMI-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 112585762
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
4-(2-fluorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112680136
N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 112586586
4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 63926384
2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde
CID 122477272
5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde
CID 123356431
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 79717873
4-(5-fluoro-2-pyridinyl)-N,5-dimethylpyrimidin-2-amine
CID 112586479
ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine
CID 169124065

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde (CID 112586582) is 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde is Cc1[nH]c(C=O)nc1-c1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The InChIKey is HDYLIZDJCDMBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-6-10(14-9(5-15)13-6)8-3-2-7(11)4-12-8/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde?
4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 112586582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).