6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde

C12H10N2O — CID 71339382

IUPAC6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)cn2)nc1
InChIInChI=1S/C12H10N2O/c1-9-2-4-11(13-6-9)12-5-3-10(8-15)7-14-12/h2-8H,1H3
InChIKeyHDXZHJHCRBMRQH-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.26
Rot. Bonds2

About 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde

6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde (PubChem CID 71339382) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde
PubChem CID71339382
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)cn2)nc1
InChIInChI=1S/C12H10N2O/c1-9-2-4-11(13-6-9)12-5-3-10(8-15)7-14-12/h2-8H,1H3
InChIKeyHDXZHJHCRBMRQH-UHFFFAOYSA-N
XLogP2.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde (CID 71339382) is 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde is Cc1ccc(-c2ccc(C=O)cn2)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde?
The InChIKey is HDXZHJHCRBMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-2-4-11(13-6-9)12-5-3-10(8-15)7-14-12/h2-8H,1H3.
What are the key properties of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde?
6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 71339382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).