2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide

C7H8ClN3O — CID 6295052

IUPAC2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N\O)c(Cl)n1
InChIInChI=1S/C7H8ClN3O/c1-4-2-3-5(6(8)10-4)7(9)11-12/h2-3,12H,1H3,(H2,9,11)
InChIKeyIGVLGMMSJQKPKN-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 6295052) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID6295052
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N\O)c(Cl)n1
InChIInChI=1S/C7H8ClN3O/c1-4-2-3-5(6(8)10-4)7(9)11-12/h2-3,12H,1H3,(H2,9,11)
InChIKeyIGVLGMMSJQKPKN-UHFFFAOYSA-N
XLogP1.14
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
CID 87764222
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916288
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
2-[(4-chlorophenyl)methyl-methylamino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916154
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 76916406
2-chloro-6-methylpyridine-3-carbohydrazide
CID 14056219
N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide
CID 77055888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 6295052) is 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(N)=N\O)c(Cl)n1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is IGVLGMMSJQKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-4-2-3-5(6(8)10-4)7(9)11-12/h2-3,12H,1H3,(H2,9,11).
What are the key properties of 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 185.61 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 6295052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).