2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide

C13H11Cl2N3O — CID 169367995

IUPAC2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cc(Cl)ccc1Oc1cccnc1
InChIInChI=1S/C13H11Cl2N3O/c14-7-13(16)18-11-6-9(15)3-4-12(11)19-10-2-1-5-17-8-10/h1-6,8H,7H2,(H2,16,18)
InChIKeySEKOTRGIOVWQKR-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide

2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide (PubChem CID 169367995) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide
PubChem CID169367995
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cc(Cl)ccc1Oc1cccnc1
InChIInChI=1S/C13H11Cl2N3O/c14-7-13(16)18-11-6-9(15)3-4-12(11)19-10-2-1-5-17-8-10/h1-6,8H,7H2,(H2,16,18)
InChIKeySEKOTRGIOVWQKR-UHFFFAOYSA-N
XLogP3.75
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)propanimidamide
CID 63178327
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
3-amino-4-(4-chloro-2-pyridin-3-yloxyphenyl)cyclobut-3-ene-1,2-dione
CID 142659371
2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide
CID 169367599
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine
CID 111083129
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
2,6-dipyridin-3-yloxyphenol
CID 139940524
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
N'-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)ethanimidamide
CID 67954454
(3-methyl-4-pyridin-3-yloxyphenyl)methanol
CID 62124917
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide (CID 169367995) is 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide is N/C(CCl)=N/c1cc(Cl)ccc1Oc1cccnc1.
What is the InChIKey of 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide?
The InChIKey is SEKOTRGIOVWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-7-13(16)18-11-6-9(15)3-4-12(11)19-10-2-1-5-17-8-10/h1-6,8H,7H2,(H2,16,18).
What are the key properties of 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide?
2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide has a molecular weight of 296.16 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide is sourced from PubChem (CID 169367995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).