2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

C13H10F3N3O — CID 151220476

IUPAC2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-5-3-8(4-6-9)11-10(12(20)19-17)2-1-7-18-11/h1-7H,17H2,(H,19,20)
InChIKeyNMEGQDNGYGLWPP-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.37
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide

2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (PubChem CID 151220476) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
PubChem CID151220476
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-5-3-8(4-6-9)11-10(12(20)19-17)2-1-7-18-11/h1-7H,17H2,(H,19,20)
InChIKeyNMEGQDNGYGLWPP-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide (CID 151220476) is 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is NNC(=O)c1cccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
The InChIKey is NMEGQDNGYGLWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-5-3-8(4-6-9)11-10(12(20)19-17)2-1-7-18-11/h1-7H,17H2,(H,19,20).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide?
2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide has a molecular weight of 281.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 151220476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).