1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine

C12H9ClF3N3 — CID 141429502

IUPAC1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine
SMILESFC(F)(F)c1ccc(NNc2ncccc2Cl)cc1
InChIInChI=1S/C12H9ClF3N3/c13-10-2-1-7-17-11(10)19-18-9-5-3-8(4-6-9)12(14,15)16/h1-7,18H,(H,17,19)
InChIKeyRXERUTRZTHPFGE-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.19
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine

1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 141429502) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine
PubChem CID141429502
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine
SMILESFC(F)(F)c1ccc(NNc2ncccc2Cl)cc1
InChIInChI=1S/C12H9ClF3N3/c13-10-2-1-7-17-11(10)19-18-9-5-3-8(4-6-9)12(14,15)16/h1-7,18H,(H,17,19)
InChIKeyRXERUTRZTHPFGE-UHFFFAOYSA-N
XLogP4.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine (CID 141429502) is 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine is FC(F)(F)c1ccc(NNc2ncccc2Cl)cc1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is RXERUTRZTHPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-10-2-1-7-17-11(10)19-18-9-5-3-8(4-6-9)12(14,15)16/h1-7,18H,(H,17,19).
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine?
1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 287.67 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 141429502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).