sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride

C7H8BrFNNaO — CID 175500910

IUPACsodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
SMILESCOc1cc(Br)c(F)cc1N.[H-].[Na+]
InChIInChI=1S/C7H7BrFNO.Na.H/c1-11-7-2-4(8)5(9)3-6(7)10;;/h2-3H,10H2,1H3;;/q;+1;-1
InChIKeyUKWZELACFKORGO-UHFFFAOYSA-N
MW244.04 g/mol
LogP-0.70
Rot. Bonds1

About sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride

sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride (PubChem CID 175500910) has the molecular formula C7H8BrFNNaO and a molecular weight of 244.04 g/mol. Its IUPAC name is sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride.

Molecular Properties

Compound Namesodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
PubChem CID175500910
Molecular FormulaC7H8BrFNNaO
Molecular Weight244.04 g/mol
Exact Mass242.97
IUPAC Namesodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
SMILESCOc1cc(Br)c(F)cc1N.[H-].[Na+]
InChIInChI=1S/C7H7BrFNO.Na.H/c1-11-7-2-4(8)5(9)3-6(7)10;;/h2-3H,10H2,1H3;;/q;+1;-1
InChIKeyUKWZELACFKORGO-UHFFFAOYSA-N
XLogP-0.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
4-bromo-2-N-(2,4-dibromo-5-methoxyphenyl)-5-fluorobenzene-1,2-diamine
CID 103410813
4-bromo-2,5-difluoroaniline
CID 2773285
4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
CID 171574099
2,5-difluoro-4-methoxyaniline
CID 45090681
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403
5-bromo-4-chloro-2-methoxyaniline
CID 75537158

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride?
The IUPAC name of sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride (CID 175500910) is sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride.
What is the SMILES notation for sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride?
The canonical SMILES for sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride is COc1cc(Br)c(F)cc1N.[H-].[Na+].
What is the InChIKey of sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride?
The InChIKey is UKWZELACFKORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO.Na.H/c1-11-7-2-4(8)5(9)3-6(7)10;;/h2-3H,10H2,1H3;;/q;+1;-1.
What are the key properties of sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride?
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride has a molecular weight of 244.04 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride is sourced from PubChem (CID 175500910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).