1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide

C14H13ClFN3O2 — CID 107073648

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFN3O2/c1-8-5-6-10(13(17)18-21)14(20)19(8)7-9-3-2-4-11(15)12(9)16/h2-6,21H,7H2,1H3,(H2,17,18)
InChIKeyLNWMRRQBDHMENX-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.09
Rot. Bonds3

About 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide

1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide (PubChem CID 107073648) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
PubChem CID107073648
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H13ClFN3O2/c1-8-5-6-10(13(17)18-21)14(20)19(8)7-9-3-2-4-11(15)12(9)16/h2-6,21H,7H2,1H3,(H2,17,18)
InChIKeyLNWMRRQBDHMENX-UHFFFAOYSA-N
XLogP2.09
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073611
1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073608
N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
CID 107073560
N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
CID 97058136
1-[(5-bromothiophen-2-yl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073532
N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073636
3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one
CID 93213282
2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 106256785
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 103047010
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide (CID 107073648) is 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The InChIKey is LNWMRRQBDHMENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-8-5-6-10(13(17)18-21)14(20)19(8)7-9-3-2-4-11(15)12(9)16/h2-6,21H,7H2,1H3,(H2,17,18).
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide has a molecular weight of 309.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107073648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).