3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide

C14H14ClFN4O — CID 79713240

IUPAC3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1cccc(C(N)=NO)c1)c1ncc(Cl)cc1F
InChIInChI=1S/C14H14ClFN4O/c1-20(14-12(16)6-11(15)7-18-14)8-9-3-2-4-10(5-9)13(17)19-21/h2-7,21H,8H2,1H3,(H2,17,19)
InChIKeyVJEUSIWVOWTAOO-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.61
Rot. Bonds4

About 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide

3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 79713240) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID79713240
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1cccc(C(N)=NO)c1)c1ncc(Cl)cc1F
InChIInChI=1S/C14H14ClFN4O/c1-20(14-12(16)6-11(15)7-18-14)8-9-3-2-4-10(5-9)13(17)19-21/h2-7,21H,8H2,1H3,(H2,17,19)
InChIKeyVJEUSIWVOWTAOO-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'}

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Related Compounds

3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide
CID 76979072
3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106
N'-hydroxy-3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzenecarboximidamide
CID 77059764
3-[[(3-fluoro-2-pyridinyl)-methylamino]methyl]benzenecarbothioamide
CID 62967600
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114786461
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 115993911
3-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 104797610
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 43658182
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
3-[(2-chloro-6-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83050359

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 79713240) is 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide is CN(Cc1cccc(C(N)=NO)c1)c1ncc(Cl)cc1F.
What is the InChIKey of 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is VJEUSIWVOWTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c1-20(14-12(16)6-11(15)7-18-14)8-9-3-2-4-10(5-9)13(17)19-21/h2-7,21H,8H2,1H3,(H2,17,19).
What are the key properties of 3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide 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-[[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79713240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).