N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide

C15H11F4N3O2 — CID 34569979

IUPACN'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F4N3O2/c16-11-4-1-9(2-5-11)7-13(23)21-22-14(24)10-3-6-12(20-8-10)15(17,18)19/h1-6,8H,7H2,(H,21,23)(H,22,24)
InChIKeyVDCPJWXQXWCMDD-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.24
Rot. Bonds3

About N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide

N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 34569979) has the molecular formula C15H11F4N3O2 and a molecular weight of 341.26 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID34569979
Molecular FormulaC15H11F4N3O2
Molecular Weight341.26 g/mol
Exact Mass341.08
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F4N3O2/c16-11-4-1-9(2-5-11)7-13(23)21-22-14(24)10-3-6-12(20-8-10)15(17,18)19/h1-6,8H,7H2,(H,21,23)(H,22,24)
InChIKeyVDCPJWXQXWCMDD-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.24
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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Related Compounds

N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 43044114
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
N'-[2-(4-chlorophenyl)acetyl]-6-methylpyridine-3-carbohydrazide
CID 31117850
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide (CID 34569979) is N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is VDCPJWXQXWCMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2/c16-11-4-1-9(2-5-11)7-13(23)21-22-14(24)10-3-6-12(20-8-10)15(17,18)19/h1-6,8H,7H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 341.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 34569979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).