N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide

C8H9Cl2N3 — CID 59991427

IUPACN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide
SMILESC/N=C/NCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C8H9Cl2N3/c1-11-5-12-4-6-2-7(9)13-8(10)3-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyFARSFZAVLMIOIB-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.14
Rot. Bonds3

About N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide

N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide (PubChem CID 59991427) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide
PubChem CID59991427
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide
SMILESC/N=C/NCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C8H9Cl2N3/c1-11-5-12-4-6-2-7(9)13-8(10)3-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyFARSFZAVLMIOIB-UHFFFAOYSA-N
XLogP2.14
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide (CID 59991427) is N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide is C/N=C/NCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide?
The InChIKey is FARSFZAVLMIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c1-11-5-12-4-6-2-7(9)13-8(10)3-6/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide?
N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide has a molecular weight of 218.09 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylmethanimidamide is sourced from PubChem (CID 59991427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).