4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide

C13H11Cl2N3O — CID 114323640

IUPAC4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccncc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-9-1-2-10(13(16)17)12(5-9)19-7-8-3-4-18-6-11(8)15/h1-6H,7H2,(H3,16,17)
InChIKeyKMWIRPXDGGZMKS-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.25
Rot. Bonds4

About 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide

4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide (PubChem CID 114323640) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
PubChem CID114323640
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccncc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-9-1-2-10(13(16)17)12(5-9)19-7-8-3-4-18-6-11(8)15/h1-6H,7H2,(H3,16,17)
InChIKeyKMWIRPXDGGZMKS-UHFFFAOYSA-N
XLogP3.25
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 114323567
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
CID 63094208
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 106955381
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide (CID 114323640) is 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1ccncc1Cl.
What is the InChIKey of 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide?
The InChIKey is KMWIRPXDGGZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-1-2-10(13(16)17)12(5-9)19-7-8-3-4-18-6-11(8)15/h1-6H,7H2,(H3,16,17).
What are the key properties of 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide?
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide has a molecular weight of 296.16 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).