4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine

C12H8BrFN2S — CID 89245398

IUPAC4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine
SMILESFc1cnccc1C(N=S)c1cccc(Br)c1
InChIInChI=1S/C12H8BrFN2S/c13-9-3-1-2-8(6-9)12(16-17)10-4-5-15-7-11(10)14/h1-7,12H
InChIKeyCEOQFSHLFGDEKY-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.80
Rot. Bonds3

About 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine

4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine (PubChem CID 89245398) has the molecular formula C12H8BrFN2S and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine.

Molecular Properties

Compound Name4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine
PubChem CID89245398
Molecular FormulaC12H8BrFN2S
Molecular Weight311.18 g/mol
Exact Mass309.96
IUPAC Name4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine
SMILESFc1cnccc1C(N=S)c1cccc(Br)c1
InChIInChI=1S/C12H8BrFN2S/c13-9-3-1-2-8(6-9)12(16-17)10-4-5-15-7-11(10)14/h1-7,12H
InChIKeyCEOQFSHLFGDEKY-UHFFFAOYSA-N
XLogP3.80
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-[phenyl(thionitroso)methyl]benzene
CID 89290809
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
[(3-bromo-5-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335328
4-(3-bromobutan-2-yl)-3-fluoropyridine
CID 104738939
[(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105193032
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine
CID 167188530
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine?
The IUPAC name of 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine (CID 89245398) is 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine.
What is the SMILES notation for 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine?
The canonical SMILES for 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine is Fc1cnccc1C(N=S)c1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine?
The InChIKey is CEOQFSHLFGDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2S/c13-9-3-1-2-8(6-9)12(16-17)10-4-5-15-7-11(10)14/h1-7,12H.
What are the key properties of 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine?
4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine has a molecular weight of 311.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine is sourced from PubChem (CID 89245398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).