3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide

C14H12F3N3O2 — CID 2727185

IUPAC3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O2/c1-22-10-5-2-4-9(8-10)13(21)20-19-12-11(14(15,16)17)6-3-7-18-12/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyRYPRQGNTIOYIME-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.87
Rot. Bonds4

About 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide

3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide (PubChem CID 2727185) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide
PubChem CID2727185
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O2/c1-22-10-5-2-4-9(8-10)13(21)20-19-12-11(14(15,16)17)6-3-7-18-12/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyRYPRQGNTIOYIME-UHFFFAOYSA-N
XLogP2.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310513
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 87032884
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The IUPAC name of 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide (CID 2727185) is 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide is COc1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
The InChIKey is RYPRQGNTIOYIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-22-10-5-2-4-9(8-10)13(21)20-19-12-11(14(15,16)17)6-3-7-18-12/h2-8H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide?
3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide has a molecular weight of 311.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 2727185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).