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

C14H9ClF3N3O2 — CID 3833745

IUPAC2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1C=NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9ClF3N3O2/c15-11-5-9(14(16,17)18)7-19-12(11)21-20-6-8-3-1-2-4-10(8)13(22)23/h1-7H,(H,19,21)(H,22,23)
InChIKeyLETQKYLIAHMXMI-UHFFFAOYSA-N
MW343.69 g/mol
LogP3.90
Rot. Bonds4

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

2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 3833745) has the molecular formula C14H9ClF3N3O2 and a molecular weight of 343.69 g/mol. Its IUPAC name is 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid
PubChem CID3833745
Molecular FormulaC14H9ClF3N3O2
Molecular Weight343.69 g/mol
Exact Mass343.03
IUPAC Name2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1C=NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9ClF3N3O2/c15-11-5-9(14(16,17)18)7-19-12(11)21-20-6-8-3-1-2-4-10(8)13(22)23/h1-7H,(H,19,21)(H,22,23)
InChIKeyLETQKYLIAHMXMI-UHFFFAOYSA-N
XLogP3.90
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 53.90
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]methyl]benzoic acid?
The IUPAC name of 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid (CID 3833745) is 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccccc1C=NNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is LETQKYLIAHMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2/c15-11-5-9(14(16,17)18)7-19-12(11)21-20-6-8-3-1-2-4-10(8)13(22)23/h1-7H,(H,19,21)(H,22,23).
What are the key properties of 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid?
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 343.69 g/mol, XLogP of 3.90, 4 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]methyl]benzoic acid is sourced from PubChem (CID 3833745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).