N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine

C19H13Cl2N3 — CID 21130230

IUPACN-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESClc1cccc(/N=C/c2cccc(/C=N/c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H13Cl2N3/c20-14-4-1-6-16(10-14)22-12-18-8-3-9-19(24-18)13-23-17-7-2-5-15(21)11-17/h1-13H/b22-12+,23-13+
InChIKeyPFULUYIQYHNVSO-FWSOMWAYSA-N
MW354.24 g/mol
LogP5.89
Rot. Bonds4

About N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine

N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine (PubChem CID 21130230) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
PubChem CID21130230
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC NameN-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESClc1cccc(/N=C/c2cccc(/C=N/c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H13Cl2N3/c20-14-4-1-6-16(10-14)22-12-18-8-3-9-19(24-18)13-23-17-7-2-5-15(21)11-17/h1-13H/b22-12+,23-13+
InChIKeyPFULUYIQYHNVSO-FWSOMWAYSA-N
XLogP5.89
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride
CID 70012907
3-[[6-[(3-carboxyphenyl)iminomethyl]-2-pyridinyl]methylideneamino]benzoic acid
CID 71292598
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
N'-(3-chlorophenyl)-N-hydroxymethanimidamide
CID 20763326
8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10733705
2-[(3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 7605518
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
CID 131233186
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]-1-[6-[[4-[tris(4-tert-butylphenyl)methyl]phenyl]iminomethyl]-2-pyridinyl]methanimine
CID 101345246
N-(3-chlorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853687

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine (CID 21130230) is N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine is Clc1cccc(/N=C/c2cccc(/C=N/c3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is PFULUYIQYHNVSO-FWSOMWAYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-14-4-1-6-16(10-14)22-12-18-8-3-9-19(24-18)13-23-17-7-2-5-15(21)11-17/h1-13H/b22-12+,23-13+.
What are the key properties of N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine?
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 354.24 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 21130230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).