2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid

C8H5ClF3N3O2 — CID 5166144

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid
SMILESO=C(O)C=NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3N3O2/c9-5-1-4(8(10,11)12)2-13-7(5)15-14-3-6(16)17/h1-3H,(H,13,15)(H,16,17)
InChIKeyXCZMNXMOXHNLBG-UHFFFAOYSA-N
MW267.59 g/mol
LogP2.24
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid (PubChem CID 5166144) has the molecular formula C8H5ClF3N3O2 and a molecular weight of 267.59 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid
PubChem CID5166144
Molecular FormulaC8H5ClF3N3O2
Molecular Weight267.59 g/mol
Exact Mass267.00
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid
SMILESO=C(O)C=NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3N3O2/c9-5-1-4(8(10,11)12)2-13-7(5)15-14-3-6(16)17/h1-3H,(H,13,15)(H,16,17)
InChIKeyXCZMNXMOXHNLBG-UHFFFAOYSA-N
XLogP2.24
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.59
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid (CID 5166144) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid is O=C(O)C=NNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid?
The InChIKey is XCZMNXMOXHNLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O2/c9-5-1-4(8(10,11)12)2-13-7(5)15-14-3-6(16)17/h1-3H,(H,13,15)(H,16,17).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid has a molecular weight of 267.59 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]acetic acid is sourced from PubChem (CID 5166144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).