2-fluoroquinoline-3-carbaldehyde

C10H6FNO — CID 15357643

IUPAC2-fluoroquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1F
InChIInChI=1S/C10H6FNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
InChIKeyYRWQNKNAKLKPKD-UHFFFAOYSA-N
MW175.16 g/mol
LogP2.19
Rot. Bonds1

About 2-fluoroquinoline-3-carbaldehyde

2-fluoroquinoline-3-carbaldehyde (PubChem CID 15357643) has the molecular formula C10H6FNO and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-fluoroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoroquinoline-3-carbaldehyde
PubChem CID15357643
Molecular FormulaC10H6FNO
Molecular Weight175.16 g/mol
Exact Mass175.04
IUPAC Name2-fluoroquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1F
InChIInChI=1S/C10H6FNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
InChIKeyYRWQNKNAKLKPKD-UHFFFAOYSA-N
XLogP2.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroquinoline-3-carbaldehyde?
The IUPAC name of 2-fluoroquinoline-3-carbaldehyde (CID 15357643) is 2-fluoroquinoline-3-carbaldehyde.
What is the SMILES notation for 2-fluoroquinoline-3-carbaldehyde?
The canonical SMILES for 2-fluoroquinoline-3-carbaldehyde is O=Cc1cc2ccccc2nc1F.
What is the InChIKey of 2-fluoroquinoline-3-carbaldehyde?
The InChIKey is YRWQNKNAKLKPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H.
What are the key properties of 2-fluoroquinoline-3-carbaldehyde?
2-fluoroquinoline-3-carbaldehyde has a molecular weight of 175.16 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroquinoline-3-carbaldehyde is sourced from PubChem (CID 15357643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).