5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde

C9H10FNO — CID 59570146

IUPAC5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde
SMILESCC(C)(F)c1cncc(C=O)c1
InChIInChI=1S/C9H10FNO/c1-9(2,10)8-3-7(6-12)4-11-5-8/h3-6H,1-2H3
InChIKeyNDHYSMBHRZNZKG-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.10
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde

5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde (PubChem CID 59570146) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde
PubChem CID59570146
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde
SMILESCC(C)(F)c1cncc(C=O)c1
InChIInChI=1S/C9H10FNO/c1-9(2,10)8-3-7(6-12)4-11-5-8/h3-6H,1-2H3
InChIKeyNDHYSMBHRZNZKG-UHFFFAOYSA-N
XLogP2.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.10
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 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde (CID 59570146) is 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde is CC(C)(F)c1cncc(C=O)c1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde?
The InChIKey is NDHYSMBHRZNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-9(2,10)8-3-7(6-12)4-11-5-8/h3-6H,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde?
5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde has a molecular weight of 167.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 59570146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).