(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide

C7H4BrClF3N3 — CID 134102990

IUPAC(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide
SMILESFC(F)(F)/C(Br)=N/Nc1cc(Cl)ccn1
InChIInChI=1S/C7H4BrClF3N3/c8-6(7(10,11)12)15-14-5-3-4(9)1-2-13-5/h1-3H,(H,13,14)/b15-6-
InChIKeyRIVAQFINADFYDP-UUASQNMZSA-N
MW302.48 g/mol
LogP3.42
Rot. Bonds2

About (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide

(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide (PubChem CID 134102990) has the molecular formula C7H4BrClF3N3 and a molecular weight of 302.48 g/mol. Its IUPAC name is (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide.

Molecular Properties

Compound Name(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide
PubChem CID134102990
Molecular FormulaC7H4BrClF3N3
Molecular Weight302.48 g/mol
Exact Mass300.92
IUPAC Name(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide
SMILESFC(F)(F)/C(Br)=N/Nc1cc(Cl)ccn1
InChIInChI=1S/C7H4BrClF3N3/c8-6(7(10,11)12)15-14-5-3-4(9)1-2-13-5/h1-3H,(H,13,14)/b15-6-
InChIKeyRIVAQFINADFYDP-UUASQNMZSA-N
XLogP3.42
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide?
The IUPAC name of (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide (CID 134102990) is (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide.
What is the SMILES notation for (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide?
The canonical SMILES for (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide is FC(F)(F)/C(Br)=N/Nc1cc(Cl)ccn1.
What is the InChIKey of (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide?
The InChIKey is RIVAQFINADFYDP-UUASQNMZSA-N. The full InChI is InChI=1S/C7H4BrClF3N3/c8-6(7(10,11)12)15-14-5-3-4(9)1-2-13-5/h1-3H,(H,13,14)/b15-6-.
What are the key properties of (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide?
(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide has a molecular weight of 302.48 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide is sourced from PubChem (CID 134102990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).