8-chloro-5-fluoroquinoline

C9H5ClFN — CID 53435993

IUPAC8-chloro-5-fluoroquinoline
SMILESFc1ccc(Cl)c2ncccc12
InChIInChI=1S/C9H5ClFN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H
InChIKeyLBYJRVZCGDZRCP-UHFFFAOYSA-N
MW181.60 g/mol
LogP3.03
Rot. Bonds

About 8-chloro-5-fluoroquinoline

8-chloro-5-fluoroquinoline (PubChem CID 53435993) has the molecular formula C9H5ClFN and a molecular weight of 181.60 g/mol. Its IUPAC name is 8-chloro-5-fluoroquinoline.

Molecular Properties

Compound Name8-chloro-5-fluoroquinoline
PubChem CID53435993
Molecular FormulaC9H5ClFN
Molecular Weight181.60 g/mol
Exact Mass181.01
IUPAC Name8-chloro-5-fluoroquinoline
SMILESFc1ccc(Cl)c2ncccc12
InChIInChI=1S/C9H5ClFN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H
InChIKeyLBYJRVZCGDZRCP-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloroquinoline-5-carbonitrile
CID 119084135
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
CID 83164661
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
2-chloro-4-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 79130214
5-chloro-6-fluoroquinolin-8-ol
CID 166150236
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
CID 172791001
CID 172791001
N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732428

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoroquinoline?
The IUPAC name of 8-chloro-5-fluoroquinoline (CID 53435993) is 8-chloro-5-fluoroquinoline.
What is the SMILES notation for 8-chloro-5-fluoroquinoline?
The canonical SMILES for 8-chloro-5-fluoroquinoline is Fc1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-5-fluoroquinoline?
The InChIKey is LBYJRVZCGDZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H.
What are the key properties of 8-chloro-5-fluoroquinoline?
8-chloro-5-fluoroquinoline has a molecular weight of 181.60 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoroquinoline is sourced from PubChem (CID 53435993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).