3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde

C10H9N3O — CID 130455733

IUPAC3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde
SMILESCn1cnc(-c2cccnc2C=O)c1
InChIInChI=1S/C10H9N3O/c1-13-5-9(12-7-13)8-3-2-4-11-10(8)6-14/h2-7H,1H3
InChIKeyDNXRZYXSQYLQLI-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.29
Rot. Bonds2

About 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde

3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde (PubChem CID 130455733) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde
PubChem CID130455733
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde
SMILESCn1cnc(-c2cccnc2C=O)c1
InChIInChI=1S/C10H9N3O/c1-13-5-9(12-7-13)8-3-2-4-11-10(8)6-14/h2-7H,1H3
InChIKeyDNXRZYXSQYLQLI-UHFFFAOYSA-N
XLogP1.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.29
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

CID 712408
CID 712408
CID 736530
CID 736530
CID 885302
CID 885302
CID 11344157
CID 11344157
CID 1096449
CID 1096449
CID 820933
CID 820933
CID 11480732
CID 11480732
CID 70683111
CID 70683111
CID 3159662
CID 3159662
CID 15045260
CID 15045260
CID 15650408
CID 15650408
CID 2759859
CID 2759859

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde (CID 130455733) is 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde is Cn1cnc(-c2cccnc2C=O)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde?
The InChIKey is DNXRZYXSQYLQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-13-5-9(12-7-13)8-3-2-4-11-10(8)6-14/h2-7H,1H3.
What are the key properties of 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde?
3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130455733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).