(E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine

C6H5BrF3N3 — CID 146674676

IUPAC(E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine
SMILESN/N=C1/N=CC(Br)=CC1C(F)(F)F
InChIInChI=1S/C6H5BrF3N3/c7-3-1-4(6(8,9)10)5(13-11)12-2-3/h1-2,4H,11H2/b13-5+
InChIKeyDLFDHYTYNVNQJG-WLRTZDKTSA-N
MW256.02 g/mol
LogP1.80
Rot. Bonds

About (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine

(E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine (PubChem CID 146674676) has the molecular formula C6H5BrF3N3 and a molecular weight of 256.02 g/mol. Its IUPAC name is (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine
PubChem CID146674676
Molecular FormulaC6H5BrF3N3
Molecular Weight256.02 g/mol
Exact Mass254.96
IUPAC Name(E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine
SMILESN/N=C1/N=CC(Br)=CC1C(F)(F)F
InChIInChI=1S/C6H5BrF3N3/c7-3-1-4(6(8,9)10)5(13-11)12-2-3/h1-2,4H,11H2/b13-5+
InChIKeyDLFDHYTYNVNQJG-WLRTZDKTSA-N
XLogP1.80
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-[3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine
CID 156592274
(5-bromo-3H-pyridin-2-ylidene)hydrazine
CID 118617218

Frequently Asked Questions

What is the IUPAC name of (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine?
The IUPAC name of (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine (CID 146674676) is (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine.
What is the SMILES notation for (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine?
The canonical SMILES for (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine is N/N=C1/N=CC(Br)=CC1C(F)(F)F.
What is the InChIKey of (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine?
The InChIKey is DLFDHYTYNVNQJG-WLRTZDKTSA-N. The full InChI is InChI=1S/C6H5BrF3N3/c7-3-1-4(6(8,9)10)5(13-11)12-2-3/h1-2,4H,11H2/b13-5+.
What are the key properties of (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine?
(E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine has a molecular weight of 256.02 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[5-bromo-3-(trifluoromethyl)-3H-pyridin-2-ylidene]hydrazine is sourced from PubChem (CID 146674676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).