2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde

C16H10F2N2O — CID 87427464

IUPAC2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde
SMILESO=CCc1nc2ccc(F)cc2cc1-c1cncc(F)c1
InChIInChI=1S/C16H10F2N2O/c17-12-1-2-15-10(5-12)7-14(16(20-15)3-4-21)11-6-13(18)9-19-8-11/h1-2,4-9H,3H2
InChIKeySWALYZVKYMRGPO-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.32
Rot. Bonds3

About 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde

2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde (PubChem CID 87427464) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde
PubChem CID87427464
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde
SMILESO=CCc1nc2ccc(F)cc2cc1-c1cncc(F)c1
InChIInChI=1S/C16H10F2N2O/c17-12-1-2-15-10(5-12)7-14(16(20-15)3-4-21)11-6-13(18)9-19-8-11/h1-2,4-9H,3H2
InChIKeySWALYZVKYMRGPO-UHFFFAOYSA-N
XLogP3.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.32
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 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde?
The IUPAC name of 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde (CID 87427464) is 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde?
The canonical SMILES for 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde is O=CCc1nc2ccc(F)cc2cc1-c1cncc(F)c1.
What is the InChIKey of 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde?
The InChIKey is SWALYZVKYMRGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-12-1-2-15-10(5-12)7-14(16(20-15)3-4-21)11-6-13(18)9-19-8-11/h1-2,4-9H,3H2.
What are the key properties of 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde?
2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde has a molecular weight of 284.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde is sourced from PubChem (CID 87427464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).