3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline

C18H10BrClFN3 — CID 146662199

IUPAC3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C18H10BrClFN3/c19-12-6-11-5-10(1-4-17(11)22-8-12)15-9-23-24-18(15)14-7-13(20)2-3-16(14)21/h1-9H,(H,23,24)
InChIKeyVKDYASVRFWJPHK-UHFFFAOYSA-N
MW402.65 g/mol
LogP5.85
Rot. Bonds2

About 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline

3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline (PubChem CID 146662199) has the molecular formula C18H10BrClFN3 and a molecular weight of 402.65 g/mol. Its IUPAC name is 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline
PubChem CID146662199
Molecular FormulaC18H10BrClFN3
Molecular Weight402.65 g/mol
Exact Mass400.97
IUPAC Name3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C18H10BrClFN3/c19-12-6-11-5-10(1-4-17(11)22-8-12)15-9-23-24-18(15)14-7-13(20)2-3-16(14)21/h1-9H,(H,23,24)
InChIKeyVKDYASVRFWJPHK-UHFFFAOYSA-N
XLogP5.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150802438
2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 146661981
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
CID 146662005
N-[1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]azetidin-3-yl]methanimine
CID 149452717
5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
CID 141367860
methyl 2-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,3-oxazole-4-carboxylate
CID 146662088
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661847
1-(3-bromoquinolin-6-yl)-2-(3-chlorophenyl)ethane-1,2-dione
CID 146662076
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1,5-naphthyridin-3-amine
CID 146662257
5-(4-bromophenyl)-4-fluoro-1H-pyrazole
CID 136576038
1-(3-bromoquinolin-6-yl)-2-(5-chloro-2,4-difluorophenyl)ethane-1,2-dione
CID 146662051
4-chloro-5-(3,4-difluorophenyl)-1H-pyrazole
CID 61395009

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline?
The IUPAC name of 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline (CID 146662199) is 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline.
What is the SMILES notation for 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline?
The canonical SMILES for 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2c1.
What is the InChIKey of 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline?
The InChIKey is VKDYASVRFWJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClFN3/c19-12-6-11-5-10(1-4-17(11)22-8-12)15-9-23-24-18(15)14-7-13(20)2-3-16(14)21/h1-9H,(H,23,24).
What are the key properties of 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline?
3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline has a molecular weight of 402.65 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline is sourced from PubChem (CID 146662199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).