1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide

C18H14Cl2IN — CID 44888619

IUPAC1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide
SMILESClc1ccc(C(c2ccccc2)[n+]2ccccc2)c(Cl)c1.[I-]
InChIInChI=1S/C18H14Cl2N.HI/c19-15-9-10-16(17(20)13-15)18(14-7-3-1-4-8-14)21-11-5-2-6-12-21;/h1-13,18H;1H/q+1;/p-1
InChIKeyBGOQFYUDAWNSBH-UHFFFAOYSA-M
MW442.13 g/mol
LogP1.92
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide

1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide (PubChem CID 44888619) has the molecular formula C18H14Cl2IN and a molecular weight of 442.13 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide
PubChem CID44888619
Molecular FormulaC18H14Cl2IN
Molecular Weight442.13 g/mol
Exact Mass440.95
IUPAC Name1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide
SMILESClc1ccc(C(c2ccccc2)[n+]2ccccc2)c(Cl)c1.[I-]
InChIInChI=1S/C18H14Cl2N.HI/c19-15-9-10-16(17(20)13-15)18(14-7-3-1-4-8-14)21-11-5-2-6-12-21;/h1-13,18H;1H/q+1;/p-1
InChIKeyBGOQFYUDAWNSBH-UHFFFAOYSA-M
XLogP1.92
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
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1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 63502079
2,4-dichloro-1-[chloro(phenylsulfanyl)methyl]benzene
CID 15100871
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
CID 63444485
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine
CID 131865153
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
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2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide?
The IUPAC name of 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide (CID 44888619) is 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide is Clc1ccc(C(c2ccccc2)[n+]2ccccc2)c(Cl)c1.[I-].
What is the InChIKey of 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide?
The InChIKey is BGOQFYUDAWNSBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14Cl2N.HI/c19-15-9-10-16(17(20)13-15)18(14-7-3-1-4-8-14)21-11-5-2-6-12-21;/h1-13,18H;1H/q+1;/p-1.
What are the key properties of 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide?
1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide has a molecular weight of 442.13 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-phenylmethyl]pyridin-1-ium iodide is sourced from PubChem (CID 44888619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).