4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline

C12H9BrFN3 — CID 143325557

IUPAC4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccc(F)cn1)c1cc(Br)ccc1N
InChIInChI=1S/C12H9BrFN3/c13-7-1-3-10(15)9(5-7)12(16)11-4-2-8(14)6-17-11/h1-6,16H,15H2/b16-12-
InChIKeyJQYWORWTLZHXEL-VBKFSLOCSA-N
MW294.13 g/mol
LogP2.98
Rot. Bonds2

About 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline

4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline (PubChem CID 143325557) has the molecular formula C12H9BrFN3 and a molecular weight of 294.13 g/mol. Its IUPAC name is 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline
PubChem CID143325557
Molecular FormulaC12H9BrFN3
Molecular Weight294.13 g/mol
Exact Mass293.00
IUPAC Name4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccc(F)cn1)c1cc(Br)ccc1N
InChIInChI=1S/C12H9BrFN3/c13-7-1-3-10(15)9(5-7)12(16)11-4-2-8(14)6-17-11/h1-6,16H,15H2/b16-12-
InChIKeyJQYWORWTLZHXEL-VBKFSLOCSA-N
XLogP2.98
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide
CID 143325536
5-bromo-2-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 65429431
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
CID 116605258
ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
CID 142835798
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
2-(4-fluorobenzenecarboximidoyl)-4-[3-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]aniline
CID 142112733
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
6-[2-amino-5-[(E)-1-(methylamino)prop-1-en-2-yl]benzenecarboximidoyl]-N-methylpyrimidin-4-amine
CID 144697128
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline?
The IUPAC name of 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline (CID 143325557) is 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline.
What is the SMILES notation for 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline?
The canonical SMILES for 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline is [H]/N=C(\c1ccc(F)cn1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline?
The InChIKey is JQYWORWTLZHXEL-VBKFSLOCSA-N. The full InChI is InChI=1S/C12H9BrFN3/c13-7-1-3-10(15)9(5-7)12(16)11-4-2-8(14)6-17-11/h1-6,16H,15H2/b16-12-.
What are the key properties of 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline?
4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline has a molecular weight of 294.13 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline is sourced from PubChem (CID 143325557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).