6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine

C15H14BrFN2O — CID 167188530

IUPAC6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(N=O)c2cccc(Br)c2)nc1F
InChIInChI=1S/C15H14BrFN2O/c1-9(2)12-6-7-13(18-15(12)17)14(19-20)10-4-3-5-11(16)8-10/h3-9,14H,1-2H3
InChIKeyITUDHRIZRURQSO-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.96
Rot. Bonds4

About 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine

6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine (PubChem CID 167188530) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine.

Molecular Properties

Compound Name6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine
PubChem CID167188530
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(N=O)c2cccc(Br)c2)nc1F
InChIInChI=1S/C15H14BrFN2O/c1-9(2)12-6-7-13(18-15(12)17)14(19-20)10-4-3-5-11(16)8-10/h3-9,14H,1-2H3
InChIKeyITUDHRIZRURQSO-UHFFFAOYSA-N
XLogP4.96
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(3-bromophenyl)-(6-fluoro-5-propan-2-yl-2-pyridinyl)methyl]azanium chloride
CID 165140616
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
4-[(3-bromophenyl)-thionitrosomethyl]-3-fluoropyridine
CID 89245398
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
3-[2-(3-bromophenyl)-1,1-difluoropropyl]-4-methyl-1,2,4-triazole
CID 167404287
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine?
The IUPAC name of 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine (CID 167188530) is 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine.
What is the SMILES notation for 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine?
The canonical SMILES for 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine is CC(C)c1ccc(C(N=O)c2cccc(Br)c2)nc1F.
What is the InChIKey of 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine?
The InChIKey is ITUDHRIZRURQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9(2)12-6-7-13(18-15(12)17)14(19-20)10-4-3-5-11(16)8-10/h3-9,14H,1-2H3.
What are the key properties of 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine?
6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine has a molecular weight of 337.19 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)-nitrosomethyl]-2-fluoro-3-propan-2-ylpyridine is sourced from PubChem (CID 167188530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).