4-methylpyridine-2-carbaldehyde

C7H7NO — CID 10011894

IUPAC4-methylpyridine-2-carbaldehyde
SMILESCc1ccnc(C=O)c1
InChIInChI=1S/C7H7NO/c1-6-2-3-8-7(4-6)5-9/h2-5H,1H3
InChIKeyUAKMHSRHDUBNJR-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.20
Rot. Bonds1

About 4-methylpyridine-2-carbaldehyde

4-methylpyridine-2-carbaldehyde (PubChem CID 10011894) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-methylpyridine-2-carbaldehyde
PubChem CID10011894
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name4-methylpyridine-2-carbaldehyde
SMILESCc1ccnc(C=O)c1
InChIInChI=1S/C7H7NO/c1-6-2-3-8-7(4-6)5-9/h2-5H,1H3
InChIKeyUAKMHSRHDUBNJR-UHFFFAOYSA-N
XLogP1.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-methylpyridine-2-carbaldehyde (CID 10011894) is 4-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-methylpyridine-2-carbaldehyde is Cc1ccnc(C=O)c1.
What is the InChIKey of 4-methylpyridine-2-carbaldehyde?
The InChIKey is UAKMHSRHDUBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-2-3-8-7(4-6)5-9/h2-5H,1H3.
What are the key properties of 4-methylpyridine-2-carbaldehyde?
4-methylpyridine-2-carbaldehyde has a molecular weight of 121.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 10011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).