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

C11H9ClF3N5O — CID 1487166

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide
SMILESCn1ccnc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N5O/c1-20-3-2-16-9(20)10(21)19-18-8-7(12)4-6(5-17-8)11(13,14)15/h2-5H,1H3,(H,17,18)(H,19,21)
InChIKeyDRUUYIAHYOWYKC-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.24
Rot. Bonds3

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide (PubChem CID 1487166) has the molecular formula C11H9ClF3N5O and a molecular weight of 319.67 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide
PubChem CID1487166
Molecular FormulaC11H9ClF3N5O
Molecular Weight319.67 g/mol
Exact Mass319.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide
SMILESCn1ccnc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N5O/c1-20-3-2-16-9(20)10(21)19-18-8-7(12)4-6(5-17-8)11(13,14)15/h2-5H,1H3,(H,17,18)(H,19,21)
InChIKeyDRUUYIAHYOWYKC-UHFFFAOYSA-N
XLogP2.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.24
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 N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide (CID 1487166) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide is Cn1ccnc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide?
The InChIKey is DRUUYIAHYOWYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O/c1-20-3-2-16-9(20)10(21)19-18-8-7(12)4-6(5-17-8)11(13,14)15/h2-5H,1H3,(H,17,18)(H,19,21).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide has a molecular weight of 319.67 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylimidazole-2-carbohydrazide is sourced from PubChem (CID 1487166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).