4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide

C13H9Cl3N4O2 — CID 135719888

IUPAC4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESNc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(O)cc2)c1Cl
InChIInChI=1S/C13H9Cl3N4O2/c14-8-10(17)9(15)12(16)19-11(8)13(22)20-18-5-6-1-3-7(21)4-2-6/h1-5,21H,(H2,17,19)(H,20,22)/b18-5+
InChIKeyAUPKEQORZJKQKN-BLLMUTORSA-N
MW359.60 g/mol
LogP3.09
Rot. Bonds3

About 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135719888) has the molecular formula C13H9Cl3N4O2 and a molecular weight of 359.60 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID135719888
Molecular FormulaC13H9Cl3N4O2
Molecular Weight359.60 g/mol
Exact Mass357.98
IUPAC Name4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESNc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(O)cc2)c1Cl
InChIInChI=1S/C13H9Cl3N4O2/c14-8-10(17)9(15)12(16)19-11(8)13(22)20-18-5-6-1-3-7(21)4-2-6/h1-5,21H,(H2,17,19)(H,20,22)/b18-5+
InChIKeyAUPKEQORZJKQKN-BLLMUTORSA-N
XLogP3.09
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.09
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

4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 2487316
4-amino-3,5,6-trichloro-N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136781547
4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
CID 2091351
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5012984
4-amino-3,5,6-trichloro-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]pyridine-2-carboxamide
CID 110527745
4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 9395129
4-amino-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3,5,6-trichloropyridine-2-carboxamide
CID 42995579
4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
CID 9214671
3,5,6-trichloro-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
CID 135625911
4-amino-3,5,6-trichloro-N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]pyridine-2-carboxamide
CID 135558225
2-[2-[[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 2693544

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 135719888) is 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(O)cc2)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is AUPKEQORZJKQKN-BLLMUTORSA-N. The full InChI is InChI=1S/C13H9Cl3N4O2/c14-8-10(17)9(15)12(16)19-11(8)13(22)20-18-5-6-1-3-7(21)4-2-6/h1-5,21H,(H2,17,19)(H,20,22)/b18-5+.
What are the key properties of 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 359.60 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135719888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).