1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide

C16H10Cl2F3N5O — CID 69084526

IUPAC1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
SMILESO=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ncccc1Cl
InChIInChI=1S/C16H10Cl2F3N5O/c17-10-3-1-5-22-14(10)26-6-2-4-12(26)15(27)25-24-13-11(18)7-9(8-23-13)16(19,20)21/h1-8H,(H,23,24)(H,25,27)
InChIKeyDBQCOMDCSAMDFF-UHFFFAOYSA-N
MW416.19 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide

1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide (PubChem CID 69084526) has the molecular formula C16H10Cl2F3N5O and a molecular weight of 416.19 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
PubChem CID69084526
Molecular FormulaC16H10Cl2F3N5O
Molecular Weight416.19 g/mol
Exact Mass415.02
IUPAC Name1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
SMILESO=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ncccc1Cl
InChIInChI=1S/C16H10Cl2F3N5O/c17-10-3-1-5-22-14(10)26-6-2-4-12(26)15(27)25-24-13-11(18)7-9(8-23-13)16(19,20)21/h1-8H,(H,23,24)(H,25,27)
InChIKeyDBQCOMDCSAMDFF-UHFFFAOYSA-N
XLogP4.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide (CID 69084526) is 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide is O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
The InChIKey is DBQCOMDCSAMDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N5O/c17-10-3-1-5-22-14(10)26-6-2-4-12(26)15(27)25-24-13-11(18)7-9(8-23-13)16(19,20)21/h1-8H,(H,23,24)(H,25,27).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide?
1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide has a molecular weight of 416.19 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 69084526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).