7-fluoro-8-methylquinoline-3-carbaldehyde

C11H8FNO — CID 130113789

IUPAC7-fluoro-8-methylquinoline-3-carbaldehyde
SMILESCc1c(F)ccc2cc(C=O)cnc12
InChIInChI=1S/C11H8FNO/c1-7-10(12)3-2-9-4-8(6-14)5-13-11(7)9/h2-6H,1H3
InChIKeyGMQGXHCXQQJGJH-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.49
Rot. Bonds1

About 7-fluoro-8-methylquinoline-3-carbaldehyde

7-fluoro-8-methylquinoline-3-carbaldehyde (PubChem CID 130113789) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 7-fluoro-8-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-8-methylquinoline-3-carbaldehyde
PubChem CID130113789
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name7-fluoro-8-methylquinoline-3-carbaldehyde
SMILESCc1c(F)ccc2cc(C=O)cnc12
InChIInChI=1S/C11H8FNO/c1-7-10(12)3-2-9-4-8(6-14)5-13-11(7)9/h2-6H,1H3
InChIKeyGMQGXHCXQQJGJH-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 7-fluoro-8-methylquinoline-3-carbaldehyde?
The IUPAC name of 7-fluoro-8-methylquinoline-3-carbaldehyde (CID 130113789) is 7-fluoro-8-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-8-methylquinoline-3-carbaldehyde?
The canonical SMILES for 7-fluoro-8-methylquinoline-3-carbaldehyde is Cc1c(F)ccc2cc(C=O)cnc12.
What is the InChIKey of 7-fluoro-8-methylquinoline-3-carbaldehyde?
The InChIKey is GMQGXHCXQQJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c1-7-10(12)3-2-9-4-8(6-14)5-13-11(7)9/h2-6H,1H3.
What are the key properties of 7-fluoro-8-methylquinoline-3-carbaldehyde?
7-fluoro-8-methylquinoline-3-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 7-fluoro-8-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 130113789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).