3-bromo-4-fluoroquinoline

C9H5BrFN — CID 130056268

IUPAC3-bromo-4-fluoroquinoline
SMILESFc1c(Br)cnc2ccccc12
InChIInChI=1S/C9H5BrFN/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
InChIKeyMRSNASOZSGAMBP-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.14
Rot. Bonds

About 3-bromo-4-fluoroquinoline

3-bromo-4-fluoroquinoline (PubChem CID 130056268) has the molecular formula C9H5BrFN and a molecular weight of 226.05 g/mol. Its IUPAC name is 3-bromo-4-fluoroquinoline.

Molecular Properties

Compound Name3-bromo-4-fluoroquinoline
PubChem CID130056268
Molecular FormulaC9H5BrFN
Molecular Weight226.05 g/mol
Exact Mass224.96
IUPAC Name3-bromo-4-fluoroquinoline
SMILESFc1c(Br)cnc2ccccc12
InChIInChI=1S/C9H5BrFN/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
InChIKeyMRSNASOZSGAMBP-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N,N-dimethylquinolin-4-amine
CID 119086885
3-bromoquinoline-4-carboxylic acid
CID 119083564
phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
4-chloro-3-fluoroquinoline
CID 22284824
1-bromophenanthridine;hydrate
CID 175162345
4-bromo-3-propan-2-ylquinoline
CID 155647294
3-bromo-4-hexylquinoline
CID 134275854
4-(2-bromo-5-fluoroanilino)quinoline-3-carbonitrile
CID 107635350
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
4-bromo-1-(trifluoromethyl)isoquinoline
CID 118989408
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoroquinoline?
The IUPAC name of 3-bromo-4-fluoroquinoline (CID 130056268) is 3-bromo-4-fluoroquinoline.
What is the SMILES notation for 3-bromo-4-fluoroquinoline?
The canonical SMILES for 3-bromo-4-fluoroquinoline is Fc1c(Br)cnc2ccccc12.
What is the InChIKey of 3-bromo-4-fluoroquinoline?
The InChIKey is MRSNASOZSGAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H.
What are the key properties of 3-bromo-4-fluoroquinoline?
3-bromo-4-fluoroquinoline has a molecular weight of 226.05 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoroquinoline is sourced from PubChem (CID 130056268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).