N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine

C13H9Cl3N2 — CID 139662853

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine
SMILESClc1ccc(C/N=C/c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C13H9Cl3N2/c14-11-2-1-3-12(15)10(11)8-17-6-9-4-5-13(16)18-7-9/h1-5,7-8H,6H2/b17-8+
InChIKeyCICCDPWTDBAJAY-CAOOACKPSA-N
MW299.59 g/mol
LogP4.66
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine

N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine (PubChem CID 139662853) has the molecular formula C13H9Cl3N2 and a molecular weight of 299.59 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine
PubChem CID139662853
Molecular FormulaC13H9Cl3N2
Molecular Weight299.59 g/mol
Exact Mass297.98
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine
SMILESClc1ccc(C/N=C/c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C13H9Cl3N2/c14-11-2-1-3-12(15)10(11)8-17-6-9-4-5-13(16)18-7-9/h1-5,7-8H,6H2/b17-8+
InChIKeyCICCDPWTDBAJAY-CAOOACKPSA-N
XLogP4.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
CID 54920974
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
2-chloro-5-(iodomethyl)pyridine
CID 11149463
N-(4-aminobutyl)-N'-[(6-chloro-3-pyridinyl)methyl]-N-methylmethanimidamide;ethane
CID 142961880
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
1-[(2-chlorophenyl)methyl]-2-[(6-chloro-3-pyridinyl)methyl]-3-ethylguanidine
CID 111174372
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
2-chloro-5-(chloromethyl)pyridine;pyridine
CID 90098666
(NZ)-N-[(6-chloro-3-pyridinyl)methylidene]hydroxylamine
CID 55279774
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine (CID 139662853) is N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine is Clc1ccc(C/N=C/c2c(Cl)cccc2Cl)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine?
The InChIKey is CICCDPWTDBAJAY-CAOOACKPSA-N. The full InChI is InChI=1S/C13H9Cl3N2/c14-11-2-1-3-12(15)10(11)8-17-6-9-4-5-13(16)18-7-9/h1-5,7-8H,6H2/b17-8+.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine?
N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine has a molecular weight of 299.59 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-(2,6-dichlorophenyl)methanimine is sourced from PubChem (CID 139662853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).