5-bromo-8-(fluoromethyl)quinoline

C10H7BrFN — CID 102514242

IUPAC5-bromo-8-(fluoromethyl)quinoline
SMILESFCc1ccc(Br)c2cccnc12
InChIInChI=1S/C10H7BrFN/c11-9-4-3-7(6-12)10-8(9)2-1-5-13-10/h1-5H,6H2
InChIKeyBNXSQQCMKVQEBJ-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-8-(fluoromethyl)quinoline

5-bromo-8-(fluoromethyl)quinoline (PubChem CID 102514242) has the molecular formula C10H7BrFN and a molecular weight of 240.08 g/mol. Its IUPAC name is 5-bromo-8-(fluoromethyl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(fluoromethyl)quinoline
PubChem CID102514242
Molecular FormulaC10H7BrFN
Molecular Weight240.08 g/mol
Exact Mass238.97
IUPAC Name5-bromo-8-(fluoromethyl)quinoline
SMILESFCc1ccc(Br)c2cccnc12
InChIInChI=1S/C10H7BrFN/c11-9-4-3-7(6-12)10-8(9)2-1-5-13-10/h1-5H,6H2
InChIKeyBNXSQQCMKVQEBJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
8-Methylquinoline
CID 11910
3-Methylquinoline
CID 11926
7-Bromoquinoline
CID 521259
Quinoline, 6-fluoro-
CID 196975
3-Bromoquinoline
CID 21413
6-Bromoquinoline
CID 79243
Quinoline, 8-ethyl-
CID 88185
5-Bromoquinoline
CID 817321
5-Bromoquinolin-8-amine hydrochloride
CID 16192748
8-Fluoroquinoline
CID 67856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(fluoromethyl)quinoline?
The IUPAC name of 5-bromo-8-(fluoromethyl)quinoline (CID 102514242) is 5-bromo-8-(fluoromethyl)quinoline.
What is the SMILES notation for 5-bromo-8-(fluoromethyl)quinoline?
The canonical SMILES for 5-bromo-8-(fluoromethyl)quinoline is FCc1ccc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-(fluoromethyl)quinoline?
The InChIKey is BNXSQQCMKVQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN/c11-9-4-3-7(6-12)10-8(9)2-1-5-13-10/h1-5H,6H2.
What are the key properties of 5-bromo-8-(fluoromethyl)quinoline?
5-bromo-8-(fluoromethyl)quinoline has a molecular weight of 240.08 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(fluoromethyl)quinoline is sourced from PubChem (CID 102514242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).