3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride

C6H5Cl3N2O2 — CID 175522535

IUPAC3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1c(Cl)cncc1Cl
InChIInChI=1S/C6H4Cl2N2O2.ClH/c7-3-1-9-2-4(8)5(3)6(11)10-12;/h1-2,12H,(H,10,11);1H
InChIKeyIYJSVYUKWWYOPH-UHFFFAOYSA-N
MW243.48 g/mol
LogP1.93
Rot. Bonds1

About 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride

3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride (PubChem CID 175522535) has the molecular formula C6H5Cl3N2O2 and a molecular weight of 243.48 g/mol. Its IUPAC name is 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
PubChem CID175522535
Molecular FormulaC6H5Cl3N2O2
Molecular Weight243.48 g/mol
Exact Mass241.94
IUPAC Name3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1c(Cl)cncc1Cl
InChIInChI=1S/C6H4Cl2N2O2.ClH/c7-3-1-9-2-4(8)5(3)6(11)10-12;/h1-2,12H,(H,10,11);1H
InChIKeyIYJSVYUKWWYOPH-UHFFFAOYSA-N
XLogP1.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichloro-4-pyridinyl)-3-oxopropanoic acid
CID 170887177
5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
CID 22601370
N-[(3aS,6aR)-5-acetamido-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3,5-dichloropyridine-4-carboxamide
CID 166360012
3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide
CID 22601457
nitroso 3,5-dichloropyridine-4-carboxylate
CID 175364088
5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide
CID 82574325
3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide
CID 142103685
3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide
CID 20820227
4,5-dichloro-N-methylpyridine-3-carboxamide
CID 129011418
N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
CID 22344553
N-[1-(3-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
CID 139978166

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride?
The IUPAC name of 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride (CID 175522535) is 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride is Cl.O=C(NO)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride?
The InChIKey is IYJSVYUKWWYOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2.ClH/c7-3-1-9-2-4(8)5(3)6(11)10-12;/h1-2,12H,(H,10,11);1H.
What are the key properties of 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride?
3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride has a molecular weight of 243.48 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 175522535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).