8-fluoro-4-methylquinoline-2-carbaldehyde

C11H8FNO — CID 82573796

IUPAC8-fluoro-4-methylquinoline-2-carbaldehyde
SMILESCc1cc(C=O)nc2c(F)cccc12
InChIInChI=1S/C11H8FNO/c1-7-5-8(6-14)13-11-9(7)3-2-4-10(11)12/h2-6H,1H3
InChIKeyFPDIXYXLCCDJSA-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.49
Rot. Bonds1

About 8-fluoro-4-methylquinoline-2-carbaldehyde

8-fluoro-4-methylquinoline-2-carbaldehyde (PubChem CID 82573796) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 8-fluoro-4-methylquinoline-2-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-4-methylquinoline-2-carbaldehyde
PubChem CID82573796
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name8-fluoro-4-methylquinoline-2-carbaldehyde
SMILESCc1cc(C=O)nc2c(F)cccc12
InChIInChI=1S/C11H8FNO/c1-7-5-8(6-14)13-11-9(7)3-2-4-10(11)12/h2-6H,1H3
InChIKeyFPDIXYXLCCDJSA-UHFFFAOYSA-N
XLogP2.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.49
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 8-fluoro-4-methylquinoline-2-carbaldehyde?
The IUPAC name of 8-fluoro-4-methylquinoline-2-carbaldehyde (CID 82573796) is 8-fluoro-4-methylquinoline-2-carbaldehyde.
What is the SMILES notation for 8-fluoro-4-methylquinoline-2-carbaldehyde?
The canonical SMILES for 8-fluoro-4-methylquinoline-2-carbaldehyde is Cc1cc(C=O)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-methylquinoline-2-carbaldehyde?
The InChIKey is FPDIXYXLCCDJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c1-7-5-8(6-14)13-11-9(7)3-2-4-10(11)12/h2-6H,1H3.
What are the key properties of 8-fluoro-4-methylquinoline-2-carbaldehyde?
8-fluoro-4-methylquinoline-2-carbaldehyde has a molecular weight of 189.19 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methylquinoline-2-carbaldehyde is sourced from PubChem (CID 82573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).