3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid

C14H10Cl3N3O3 — CID 135582489

IUPAC3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid
SMILESC/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1
InChIInChI=1S/C14H10Cl3N3O3/c1-6(7-2-4-8(21)5-3-7)19-20-11-9(15)12(14(22)23)18-13(17)10(11)16/h2-5,21H,1H3,(H,18,20)(H,22,23)/b19-6+
InChIKeyGHOFCLHZVHUIDP-KPSZGOFPSA-N
MW374.61 g/mol
LogP4.28
Rot. Bonds4

About 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid

3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid (PubChem CID 135582489) has the molecular formula C14H10Cl3N3O3 and a molecular weight of 374.61 g/mol. Its IUPAC name is 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid
PubChem CID135582489
Molecular FormulaC14H10Cl3N3O3
Molecular Weight374.61 g/mol
Exact Mass372.98
IUPAC Name3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid
SMILESC/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1
InChIInChI=1S/C14H10Cl3N3O3/c1-6(7-2-4-8(21)5-3-7)19-20-11-9(15)12(14(22)23)18-13(17)10(11)16/h2-5,21H,1H3,(H,18,20)(H,22,23)/b19-6+
InChIKeyGHOFCLHZVHUIDP-KPSZGOFPSA-N
XLogP4.28
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid?
The IUPAC name of 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid (CID 135582489) is 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid is C/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1.
What is the InChIKey of 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid?
The InChIKey is GHOFCLHZVHUIDP-KPSZGOFPSA-N. The full InChI is InChI=1S/C14H10Cl3N3O3/c1-6(7-2-4-8(21)5-3-7)19-20-11-9(15)12(14(22)23)18-13(17)10(11)16/h2-5,21H,1H3,(H,18,20)(H,22,23)/b19-6+.
What are the key properties of 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid?
3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid has a molecular weight of 374.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 135582489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).