6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde

C13H11FN2O — CID 129060065

IUPAC6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde
SMILESCc1cccc(C(F)c2cccc(C=O)n2)n1
InChIInChI=1S/C13H11FN2O/c1-9-4-2-6-11(15-9)13(14)12-7-3-5-10(8-17)16-12/h2-8,13H,1H3
InChIKeyYYANMZDWLCMQKZ-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.66
Rot. Bonds3

About 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde

6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde (PubChem CID 129060065) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde
PubChem CID129060065
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde
SMILESCc1cccc(C(F)c2cccc(C=O)n2)n1
InChIInChI=1S/C13H11FN2O/c1-9-4-2-6-11(15-9)13(14)12-7-3-5-10(8-17)16-12/h2-8,13H,1H3
InChIKeyYYANMZDWLCMQKZ-UHFFFAOYSA-N
XLogP2.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.66
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-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde (CID 129060065) is 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde is Cc1cccc(C(F)c2cccc(C=O)n2)n1.
What is the InChIKey of 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde?
The InChIKey is YYANMZDWLCMQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9-4-2-6-11(15-9)13(14)12-7-3-5-10(8-17)16-12/h2-8,13H,1H3.
What are the key properties of 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde?
6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde has a molecular weight of 230.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro-(6-methyl-2-pyridinyl)methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 129060065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).