3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide

C14H14ClFN4O — CID 136739336

IUPAC3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
SMILESCN(Cc1ccccc1F)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H14ClFN4O/c1-20(8-9-4-2-3-5-11(9)16)14-12(15)10(6-7-18-14)13(17)19-21/h2-7,21H,8H2,1H3,(H2,17,19)
InChIKeyCVYRVXFNSFLJMZ-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739336) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739336
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
SMILESCN(Cc1ccccc1F)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H14ClFN4O/c1-20(8-9-4-2-3-5-11(9)16)14-12(15)10(6-7-18-14)13(17)19-21/h2-7,21H,8H2,1H3,(H2,17,19)
InChIKeyCVYRVXFNSFLJMZ-UHFFFAOYSA-N
XLogP2.61
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.61
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'}

Analyze 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739272
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
CID 136739462
3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
CID 136739427
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide (CID 136739336) is 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide is CN(Cc1ccccc1F)c1nccc(/C(N)=N/O)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is CVYRVXFNSFLJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c1-20(8-9-4-2-3-5-11(9)16)14-12(15)10(6-7-18-14)13(17)19-21/h2-7,21H,8H2,1H3,(H2,17,19).
What are the key properties of 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 308.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).