4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide

C15H16ClN3O2 — CID 103174823

IUPAC4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
SMILESCCc1nc(C)ccc1Oc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C15H16ClN3O2/c1-3-12-13(7-4-9(2)18-12)21-14-8-10(16)5-6-11(14)15(17)19-20/h4-8,20H,3H2,1-2H3,(H2,17,19)
InChIKeyBFFYFCJWLNHFPS-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 103174823) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
PubChem CID103174823
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
SMILESCCc1nc(C)ccc1Oc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C15H16ClN3O2/c1-3-12-13(7-4-9(2)18-12)21-14-8-10(16)5-6-11(14)15(17)19-20/h4-8,20H,3H2,1-2H3,(H2,17,19)
InChIKeyBFFYFCJWLNHFPS-UHFFFAOYSA-N
XLogP3.49
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.49
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

2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997712
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323401
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide (CID 103174823) is 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide is CCc1nc(C)ccc1Oc1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is BFFYFCJWLNHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-12-13(7-4-9(2)18-12)21-14-8-10(16)5-6-11(14)15(17)19-20/h4-8,20H,3H2,1-2H3,(H2,17,19).
What are the key properties of 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 305.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 103174823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).