2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde

C11H7ClFNO — CID 87427540

IUPAC2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
SMILESO=CCc1cnc2c(F)cccc2c1Cl
InChIInChI=1S/C11H7ClFNO/c12-10-7(4-5-15)6-14-11-8(10)2-1-3-9(11)13/h1-3,5-6H,4H2
InChIKeySKJLOWLVOPKGLY-UHFFFAOYSA-N
MW223.63 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde

2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde (PubChem CID 87427540) has the molecular formula C11H7ClFNO and a molecular weight of 223.63 g/mol. Its IUPAC name is 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
PubChem CID87427540
Molecular FormulaC11H7ClFNO
Molecular Weight223.63 g/mol
Exact Mass223.02
IUPAC Name2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
SMILESO=CCc1cnc2c(F)cccc2c1Cl
InChIInChI=1S/C11H7ClFNO/c12-10-7(4-5-15)6-14-11-8(10)2-1-3-9(11)13/h1-3,5-6H,4H2
InChIKeySKJLOWLVOPKGLY-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluorophenyl)acetaldehyde
CID 22667341
4-chloro-8-fluoro-N-(methoxymethyl)quinoline-3-carboxamide
CID 67511384
2-(1-chloronaphthalen-2-yl)acetaldehyde
CID 54518324
2-(7-fluoro-8-hydroxyquinolin-5-yl)acetaldehyde
CID 88572009
2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate
CID 174643820
azane;2-(2,3-difluorophenyl)acetaldehyde
CID 87319362
2-(4-chloro-8-methylquinolin-3-yl)acetic acid
CID 84699093
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
(4-chloro-8-fluorocinnolin-3-yl)methanamine
CID 83885596
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
2-(8-aminoquinolin-4-yl)acetaldehyde
CID 174157717
2-naphthalen-1-ylacetaldehyde
CID 12570786

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde?
The IUPAC name of 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde (CID 87427540) is 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde is O=CCc1cnc2c(F)cccc2c1Cl.
What is the InChIKey of 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde?
The InChIKey is SKJLOWLVOPKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c12-10-7(4-5-15)6-14-11-8(10)2-1-3-9(11)13/h1-3,5-6H,4H2.
What are the key properties of 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde?
2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde has a molecular weight of 223.63 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde is sourced from PubChem (CID 87427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).