7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde

C11H7ClFNO2 — CID 155389012

IUPAC7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde
SMILESCn1cc(C=O)c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C11H7ClFNO2/c1-14-4-6(5-15)11(16)7-2-9(13)8(12)3-10(7)14/h2-5H,1H3
InChIKeyYERKKPQBDXGOAN-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.14
Rot. Bonds1

About 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde

7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde (PubChem CID 155389012) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde
PubChem CID155389012
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde
SMILESCn1cc(C=O)c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C11H7ClFNO2/c1-14-4-6(5-15)11(16)7-2-9(13)8(12)3-10(7)14/h2-5H,1H3
InChIKeyYERKKPQBDXGOAN-UHFFFAOYSA-N
XLogP2.14
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.14
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 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde (CID 155389012) is 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde is Cn1cc(C=O)c(=O)c2cc(F)c(Cl)cc21.
What is the InChIKey of 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde?
The InChIKey is YERKKPQBDXGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-14-4-6(5-15)11(16)7-2-9(13)8(12)3-10(7)14/h2-5H,1H3.
What are the key properties of 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde?
7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde has a molecular weight of 239.63 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 155389012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).