1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine

C12H8ClF3N4O2 — CID 141438332

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cccc(NNc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C12H8ClF3N4O2/c13-10-4-7(12(14,15)16)6-17-11(10)19-18-8-2-1-3-9(5-8)20(21)22/h1-6,18H,(H,17,19)
InChIKeyNSZQPNDCDYHCJE-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.10
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine (PubChem CID 141438332) has the molecular formula C12H8ClF3N4O2 and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine
PubChem CID141438332
Molecular FormulaC12H8ClF3N4O2
Molecular Weight332.67 g/mol
Exact Mass332.03
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cccc(NNc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C12H8ClF3N4O2/c13-10-4-7(12(14,15)16)6-17-11(10)19-18-8-2-1-3-9(5-8)20(21)22/h1-6,18H,(H,17,19)
InChIKeyNSZQPNDCDYHCJE-UHFFFAOYSA-N
XLogP4.10
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]thiourea
CID 2370102
1-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-phenylthiourea
CID 2426236
1-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(2,4-difluorophenyl)thiourea
CID 2426360
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(2-nitrophenyl)-1,2-ethanediamine
CID 3704436
(Z)-2-(2-(4-chloro-3-nitrobenzylidene)hydrazinyl)pyridine
CID 5760412
Benzaldehyde, p-chloro-, (5-nitro-2-pyridyl)hydrazone
CID 9568686
N-[(5-chloro-2-nitrophenyl)methylideneamino]pyridin-2-amine
CID 263869
1-(4-Chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]thiourea
CID 2426234
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(2-fluorophenyl)thiourea
CID 2426361
Benzaldehyde, o-chloro-, (5-nitro-2-pyridyl)hydrazone
CID 9578607
2-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-5-(trifluoromethyl)pyridine
CID 5340444
4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4856169

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine (CID 141438332) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine is O=[N+]([O-])c1cccc(NNc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine?
The InChIKey is NSZQPNDCDYHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4O2/c13-10-4-7(12(14,15)16)6-17-11(10)19-18-8-2-1-3-9(5-8)20(21)22/h1-6,18H,(H,17,19).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine has a molecular weight of 332.67 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine is sourced from PubChem (CID 141438332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).