2-fluoro-5-pyridin-2-ylbenzaldehyde

C12H8FNO — CID 63680969

IUPAC2-fluoro-5-pyridin-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2ccccn2)ccc1F
InChIInChI=1S/C12H8FNO/c13-11-5-4-9(7-10(11)8-15)12-3-1-2-6-14-12/h1-8H
InChIKeyUSSHFSKNPNLISQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.70
Rot. Bonds2

About 2-fluoro-5-pyridin-2-ylbenzaldehyde

2-fluoro-5-pyridin-2-ylbenzaldehyde (PubChem CID 63680969) has the molecular formula C12H8FNO and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-fluoro-5-pyridin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-pyridin-2-ylbenzaldehyde
PubChem CID63680969
Molecular FormulaC12H8FNO
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name2-fluoro-5-pyridin-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2ccccn2)ccc1F
InChIInChI=1S/C12H8FNO/c13-11-5-4-9(7-10(11)8-15)12-3-1-2-6-14-12/h1-8H
InChIKeyUSSHFSKNPNLISQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.70
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 2-fluoro-5-pyridin-2-ylbenzaldehyde?
The IUPAC name of 2-fluoro-5-pyridin-2-ylbenzaldehyde (CID 63680969) is 2-fluoro-5-pyridin-2-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-5-pyridin-2-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-5-pyridin-2-ylbenzaldehyde is O=Cc1cc(-c2ccccn2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyridin-2-ylbenzaldehyde?
The InChIKey is USSHFSKNPNLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO/c13-11-5-4-9(7-10(11)8-15)12-3-1-2-6-14-12/h1-8H.
What are the key properties of 2-fluoro-5-pyridin-2-ylbenzaldehyde?
2-fluoro-5-pyridin-2-ylbenzaldehyde has a molecular weight of 201.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyridin-2-ylbenzaldehyde is sourced from PubChem (CID 63680969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).