4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline

C11H8BrFN3O2P — CID 118500686

IUPAC4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline
SMILESO=[N+]([O-])c1c(F)c(Br)cc(-c2ccccn2)c1NP
InChIInChI=1S/C11H8BrFN3O2P/c12-7-5-6(8-3-1-2-4-14-8)10(15-19)11(9(7)13)16(17)18/h1-5,15H,19H2
InChIKeyQNLXLQSALDIGLB-UHFFFAOYSA-N
MW344.08 g/mol
LogP3.76
Rot. Bonds3

About 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline

4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline (PubChem CID 118500686) has the molecular formula C11H8BrFN3O2P and a molecular weight of 344.08 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline
PubChem CID118500686
Molecular FormulaC11H8BrFN3O2P
Molecular Weight344.08 g/mol
Exact Mass342.95
IUPAC Name4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline
SMILESO=[N+]([O-])c1c(F)c(Br)cc(-c2ccccn2)c1NP
InChIInChI=1S/C11H8BrFN3O2P/c12-7-5-6(8-3-1-2-4-14-8)10(15-19)11(9(7)13)16(17)18/h1-5,15H,19H2
InChIKeyQNLXLQSALDIGLB-UHFFFAOYSA-N
XLogP3.76
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.08
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-nitro-4-pyridin-2-ylpyridin-2-amine
CID 118914696
5-bromo-2-ethyl-6-fluoro-3-pyridin-2-ylaniline
CID 123709225
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
N-methyl-4-nitro-2-pyridin-2-ylaniline
CID 58174468
4-nitro-2-pyridin-2-ylbenzenethiol
CID 135604753
3-nitro-4-pyridin-2-ylphthalic acid
CID 141140668
S-methyl N-(5-bromo-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)carbamothioate
CID 87349771
1-(5-bromo-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 86654970
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
CID 72736085
2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline
CID 67004364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline?
The IUPAC name of 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline (CID 118500686) is 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline.
What is the SMILES notation for 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline?
The canonical SMILES for 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline is O=[N+]([O-])c1c(F)c(Br)cc(-c2ccccn2)c1NP.
What is the InChIKey of 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline?
The InChIKey is QNLXLQSALDIGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN3O2P/c12-7-5-6(8-3-1-2-4-14-8)10(15-19)11(9(7)13)16(17)18/h1-5,15H,19H2.
What are the key properties of 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline?
4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline has a molecular weight of 344.08 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-nitro-N-phosphanyl-6-pyridin-2-ylaniline is sourced from PubChem (CID 118500686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).