N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide

C8H6F3N3O2 — CID 571551

IUPACN'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h1-4H,(H,13,15)(H,14,16)
InChIKeyMDURIDWPKDWKKN-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.40
Rot. Bonds1

About N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide

N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide (PubChem CID 571551) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
PubChem CID571551
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC NameN'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h1-4H,(H,13,15)(H,14,16)
InChIKeyMDURIDWPKDWKKN-UHFFFAOYSA-N
XLogP0.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.40
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-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
CID 108934864
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
2,2,2-trichloro-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide
CID 3291335
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
CID 50896973
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
methyl N-(pyridine-4-carbonylamino)carbamodithioate
CID 3000602
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770
N'-(3-iodobenzoyl)pyridine-4-carbohydrazide
CID 3280219
N'-(4-hydroxyphenyl)pyridine-4-carbohydrazide
CID 175385248

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide (CID 571551) is N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide is O=C(NNC(=O)C(F)(F)F)c1ccncc1.
What is the InChIKey of N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide?
The InChIKey is MDURIDWPKDWKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h1-4H,(H,13,15)(H,14,16).
What are the key properties of N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide?
N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide has a molecular weight of 233.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 571551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).