(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride

C6H5ClN2O2 — CID 137079336

IUPAC(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(O)cn1
InChIInChI=1S/C6H5ClN2O2/c7-6(9-11)5-2-1-4(10)3-8-5/h1-3,10-11H/b9-6+
InChIKeyWOSHONURTHYSQV-RMKNXTFCSA-N
MW172.57 g/mol
LogP1.16
Rot. Bonds1

About (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride

(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride (PubChem CID 137079336) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride.

Molecular Properties

Compound Name(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride
PubChem CID137079336
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(O)cn1
InChIInChI=1S/C6H5ClN2O2/c7-6(9-11)5-2-1-4(10)3-8-5/h1-3,10-11H/b9-6+
InChIKeyWOSHONURTHYSQV-RMKNXTFCSA-N
XLogP1.16
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
CID 144987991
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
6-(5-hydroxy-2-pyridinyl)pyridin-3-ol
CID 135830900
(3E)-N-hydroxypyridazine-3-carboximidoyl chloride
CID 143103846
6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride
CID 86737674
N,N-diethyl-5-hydroxypyridine-2-carboxamide
CID 67234300
5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride
CID 170557723
6-(4-chloro-2-fluorophenyl)pyridin-3-ol
CID 83128256
(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride
CID 137004396
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-5-hydroxypyridine-2-carboxamide
CID 125438798
2-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone
CID 167300899
6-isocyanopyridin-3-ol
CID 46398147

Frequently Asked Questions

What is the IUPAC name of (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride?
The IUPAC name of (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride (CID 137079336) is (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride.
What is the SMILES notation for (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride?
The canonical SMILES for (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride is O/N=C(/Cl)c1ccc(O)cn1.
What is the InChIKey of (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride?
The InChIKey is WOSHONURTHYSQV-RMKNXTFCSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-6(9-11)5-2-1-4(10)3-8-5/h1-3,10-11H/b9-6+.
What are the key properties of (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride?
(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride has a molecular weight of 172.57 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride is sourced from PubChem (CID 137079336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).