4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide

C15H11BrF2N4 — CID 118626617

IUPAC4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide
SMILESCn1cc2cc(/N=C(\N)c3ccc(Br)c(F)c3)c(F)cc2n1
InChIInChI=1S/C15H11BrF2N4/c1-22-7-9-5-14(12(18)6-13(9)21-22)20-15(19)8-2-3-10(16)11(17)4-8/h2-7H,1H3,(H2,19,20)
InChIKeyBBAHVRGGRGJGQV-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.65
Rot. Bonds2

About 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide

4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide (PubChem CID 118626617) has the molecular formula C15H11BrF2N4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide
PubChem CID118626617
Molecular FormulaC15H11BrF2N4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide
SMILESCn1cc2cc(/N=C(\N)c3ccc(Br)c(F)c3)c(F)cc2n1
InChIInChI=1S/C15H11BrF2N4/c1-22-7-9-5-14(12(18)6-13(9)21-22)20-15(19)8-2-3-10(16)11(17)4-8/h2-7H,1H3,(H2,19,20)
InChIKeyBBAHVRGGRGJGQV-UHFFFAOYSA-N
XLogP3.65
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide?
The IUPAC name of 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide (CID 118626617) is 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide is Cn1cc2cc(/N=C(\N)c3ccc(Br)c(F)c3)c(F)cc2n1.
What is the InChIKey of 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide?
The InChIKey is BBAHVRGGRGJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N4/c1-22-7-9-5-14(12(18)6-13(9)21-22)20-15(19)8-2-3-10(16)11(17)4-8/h2-7H,1H3,(H2,19,20).
What are the key properties of 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide?
4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide has a molecular weight of 365.18 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 118626617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).