(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one

C15H11ClF3N3O2 — CID 6976636

IUPAC(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one
SMILESCN(N[C@@H]1OC(=O)c2ccccc21)c1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H11ClF3N3O2/c1-22(12-11(15(17,18)19)6-8(16)7-20-12)21-13-9-4-2-3-5-10(9)14(23)24-13/h2-7,13,21H,1H3/t13-/m1/s1
InChIKeySVKWQENPNZQJRS-CYBMUJFWSA-N
MW357.72 g/mol
LogP3.56
Rot. Bonds3

About (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one

(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one (PubChem CID 6976636) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one
PubChem CID6976636
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC Name(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one
SMILESCN(N[C@@H]1OC(=O)c2ccccc21)c1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H11ClF3N3O2/c1-22(12-11(15(17,18)19)6-8(16)7-20-12)21-13-9-4-2-3-5-10(9)14(23)24-13/h2-7,13,21H,1H3/t13-/m1/s1
InChIKeySVKWQENPNZQJRS-CYBMUJFWSA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
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 (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one (CID 6976636) is (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one is CN(N[C@@H]1OC(=O)c2ccccc21)c1ncc(Cl)cc1C(F)(F)F.
What is the InChIKey of (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one?
The InChIKey is SVKWQENPNZQJRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c1-22(12-11(15(17,18)19)6-8(16)7-20-12)21-13-9-4-2-3-5-10(9)14(23)24-13/h2-7,13,21H,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one?
(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one has a molecular weight of 357.72 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 6976636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).