(Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine

C8H9BrF2N4 — CID 145450736

IUPAC(Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine
SMILESN/C=C\N(N)c1ncc(Br)cc1C(F)F
InChIInChI=1S/C8H9BrF2N4/c9-5-3-6(7(10)11)8(14-4-5)15(13)2-1-12/h1-4,7H,12-13H2/b2-1-
InChIKeyYROHEMZEFCBWBY-UPHRSURJSA-N
MW279.09 g/mol
LogP1.89
Rot. Bonds3

About (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine

(Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine (PubChem CID 145450736) has the molecular formula C8H9BrF2N4 and a molecular weight of 279.09 g/mol. Its IUPAC name is (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine
PubChem CID145450736
Molecular FormulaC8H9BrF2N4
Molecular Weight279.09 g/mol
Exact Mass278.00
IUPAC Name(Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine
SMILESN/C=C\N(N)c1ncc(Br)cc1C(F)F
InChIInChI=1S/C8H9BrF2N4/c9-5-3-6(7(10)11)8(14-4-5)15(13)2-1-12/h1-4,7H,12-13H2/b2-1-
InChIKeyYROHEMZEFCBWBY-UPHRSURJSA-N
XLogP1.89
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
5-bromo-2-(difluoromethyl)pyridin-3-amine
CID 130094563
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
5-bromo-2-(difluoromethyl)-3-iodopyridine
CID 130095025
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
CID 156563536
(5-bromo-3-ethenyl-2-pyridinyl)-prop-2-enylcarbamic acid
CID 137480704
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol
CID 130840689
methyl 2-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxyacetate
CID 165351152

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine?
The IUPAC name of (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine (CID 145450736) is (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine.
What is the SMILES notation for (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine?
The canonical SMILES for (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine is N/C=C\N(N)c1ncc(Br)cc1C(F)F.
What is the InChIKey of (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine?
The InChIKey is YROHEMZEFCBWBY-UPHRSURJSA-N. The full InChI is InChI=1S/C8H9BrF2N4/c9-5-3-6(7(10)11)8(14-4-5)15(13)2-1-12/h1-4,7H,12-13H2/b2-1-.
What are the key properties of (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine?
(Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine has a molecular weight of 279.09 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[5-bromo-3-(difluoromethyl)-2-pyridinyl]amino]ethenamine is sourced from PubChem (CID 145450736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).