3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide

C14H7ClF6N4O2 — CID 126720603

IUPAC3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H7ClF6N4O2/c15-8-3-7(14(19,20)21)5-23-10(8)12(27)25-24-11(26)9-4-6(1-2-22-9)13(16,17)18/h1-5H,(H,24,26)(H,25,27)
InChIKeyGSYVRKMPHBYQOO-UHFFFAOYSA-N
MW412.68 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide

3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide (PubChem CID 126720603) has the molecular formula C14H7ClF6N4O2 and a molecular weight of 412.68 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide
PubChem CID126720603
Molecular FormulaC14H7ClF6N4O2
Molecular Weight412.68 g/mol
Exact Mass412.02
IUPAC Name3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H7ClF6N4O2/c15-8-3-7(14(19,20)21)5-23-10(8)12(27)25-24-11(26)9-4-6(1-2-22-9)13(16,17)18/h1-5H,(H,24,26)(H,25,27)
InChIKeyGSYVRKMPHBYQOO-UHFFFAOYSA-N
XLogP3.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.68
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide (CID 126720603) is 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide is O=C(NNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide?
The InChIKey is GSYVRKMPHBYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF6N4O2/c15-8-3-7(14(19,20)21)5-23-10(8)12(27)25-24-11(26)9-4-6(1-2-22-9)13(16,17)18/h1-5H,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide?
3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide has a molecular weight of 412.68 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 126720603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).