7-bromo-3,6-difluoroquinoline

C9H4BrF2N — CID 162381108

IUPAC7-bromo-3,6-difluoroquinoline
SMILESFc1cnc2cc(Br)c(F)cc2c1
InChIInChI=1S/C9H4BrF2N/c10-7-3-9-5(2-8(7)12)1-6(11)4-13-9/h1-4H
InChIKeyDHGDHOMNGZNIMD-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.28
Rot. Bonds

About 7-bromo-3,6-difluoroquinoline

7-bromo-3,6-difluoroquinoline (PubChem CID 162381108) has the molecular formula C9H4BrF2N and a molecular weight of 244.04 g/mol. Its IUPAC name is 7-bromo-3,6-difluoroquinoline.

Molecular Properties

Compound Name7-bromo-3,6-difluoroquinoline
PubChem CID162381108
Molecular FormulaC9H4BrF2N
Molecular Weight244.04 g/mol
Exact Mass242.95
IUPAC Name7-bromo-3,6-difluoroquinoline
SMILESFc1cnc2cc(Br)c(F)cc2c1
InChIInChI=1S/C9H4BrF2N/c10-7-3-9-5(2-8(7)12)1-6(11)4-13-9/h1-4H
InChIKeyDHGDHOMNGZNIMD-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-3,6-difluoroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine
CID 90084661
7-bromo-4,6-difluorocinnoline
CID 162682498
CID 155712415
CID 155712415
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
5-bromo-2-chloro-6-fluoro-1,3-benzoxazole
CID 115410652
2-bromo-5-fluoropyridine-3-thiol
CID 119001198
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
5-bromo-6-fluoro-1H-indazole
CID 46863923
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
CID 155463702
6-fluoroquinolin-3-amine
CID 22458712

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,6-difluoroquinoline?
The IUPAC name of 7-bromo-3,6-difluoroquinoline (CID 162381108) is 7-bromo-3,6-difluoroquinoline.
What is the SMILES notation for 7-bromo-3,6-difluoroquinoline?
The canonical SMILES for 7-bromo-3,6-difluoroquinoline is Fc1cnc2cc(Br)c(F)cc2c1.
What is the InChIKey of 7-bromo-3,6-difluoroquinoline?
The InChIKey is DHGDHOMNGZNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2N/c10-7-3-9-5(2-8(7)12)1-6(11)4-13-9/h1-4H.
What are the key properties of 7-bromo-3,6-difluoroquinoline?
7-bromo-3,6-difluoroquinoline has a molecular weight of 244.04 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,6-difluoroquinoline is sourced from PubChem (CID 162381108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).