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

C13H8Cl3N3O3 — CID 135625911

IUPAC3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccc(O)cc2)c1Cl
InChIInChI=1S/C13H8Cl3N3O3/c14-8-10(9(15)12(16)18-11(8)13(21)22)19-17-5-6-1-3-7(20)4-2-6/h1-5,20H,(H,18,19)(H,21,22)/b17-5+
InChIKeyITZONYFHACLKPU-YAXRCOADSA-N
MW360.58 g/mol
LogP3.89
Rot. Bonds4

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

3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid (PubChem CID 135625911) has the molecular formula C13H8Cl3N3O3 and a molecular weight of 360.58 g/mol. Its IUPAC name is 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
PubChem CID135625911
Molecular FormulaC13H8Cl3N3O3
Molecular Weight360.58 g/mol
Exact Mass358.96
IUPAC Name3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccc(O)cc2)c1Cl
InChIInChI=1S/C13H8Cl3N3O3/c14-8-10(9(15)12(16)18-11(8)13(21)22)19-17-5-6-1-3-7(20)4-2-6/h1-5,20H,(H,18,19)(H,21,22)/b17-5+
InChIKeyITZONYFHACLKPU-YAXRCOADSA-N
XLogP3.89
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.89
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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Related Compounds

3,5,6-trichloro-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
CID 21240957
4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135719888
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
3,5,6-trichloro-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]pyridine-2-carboxylic acid
CID 7937240
3,5,6-trichloro-4-[(2,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxylic acid
CID 3346463
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 135518631
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
3,5,6-trichloro-4-[1-(4-hydroxyphenyl)ethyldiazenyl]pyridine-2-carboxylic acid
CID 91897677
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
4-[(Z)-[[5-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]hydrazinylidene]methyl]phenol
CID 135958634

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid?
The IUPAC name of 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid (CID 135625911) is 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid is O=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccc(O)cc2)c1Cl.
What is the InChIKey of 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid?
The InChIKey is ITZONYFHACLKPU-YAXRCOADSA-N. The full InChI is InChI=1S/C13H8Cl3N3O3/c14-8-10(9(15)12(16)18-11(8)13(21)22)19-17-5-6-1-3-7(20)4-2-6/h1-5,20H,(H,18,19)(H,21,22)/b17-5+.
What are the key properties of 3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid?
3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid has a molecular weight of 360.58 g/mol, XLogP of 3.89, 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-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 135625911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).