N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide

C12H9F3N4O — CID 154695714

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide
SMILESNN(C(=O)c1ccccn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)8-4-5-10(18-7-8)19(16)11(20)9-3-1-2-6-17-9/h1-7H,16H2
InChIKeyYAKINDSHLLFVGB-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.02
Rot. Bonds2

About N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide

N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide (PubChem CID 154695714) has the molecular formula C12H9F3N4O and a molecular weight of 282.23 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide
PubChem CID154695714
Molecular FormulaC12H9F3N4O
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide
SMILESNN(C(=O)c1ccccn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)8-4-5-10(18-7-8)19(16)11(20)9-3-1-2-6-17-9/h1-7H,16H2
InChIKeyYAKINDSHLLFVGB-UHFFFAOYSA-N
XLogP2.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503
N-methylpyridine-2-carbohydrazide
CID 45084309
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-2-carboxamide
CID 71918358
N-(4-acetylphenyl)pyridine-2-carbohydrazide
CID 156901438
2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide
CID 154049346
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-(4-methoxyphenyl)pyridine-2-carbohydrazide
CID 91595717
N-(3-methylphenyl)pyridine-2-carbohydrazide
CID 154695702
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908477
N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908272
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide (CID 154695714) is N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide is NN(C(=O)c1ccccn1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide?
The InChIKey is YAKINDSHLLFVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c13-12(14,15)8-4-5-10(18-7-8)19(16)11(20)9-3-1-2-6-17-9/h1-7H,16H2.
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide?
N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide has a molecular weight of 282.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 154695714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).