2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine

C14H12BrCl2NO — CID 60891469

IUPAC2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
SMILESClc1cc(Cl)c(OCCc2ccccn2)c(CBr)c1
InChIInChI=1S/C14H12BrCl2NO/c15-9-10-7-11(16)8-13(17)14(10)19-6-4-12-3-1-2-5-18-12/h1-3,5,7-8H,4,6,9H2
InChIKeyBMQRSHYTNPFOEN-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.90
Rot. Bonds5

About 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine

2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine (PubChem CID 60891469) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
PubChem CID60891469
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
SMILESClc1cc(Cl)c(OCCc2ccccn2)c(CBr)c1
InChIInChI=1S/C14H12BrCl2NO/c15-9-10-7-11(16)8-13(17)14(10)19-6-4-12-3-1-2-5-18-12/h1-3,5,7-8H,4,6,9H2
InChIKeyBMQRSHYTNPFOEN-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
CID 43516371
2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892611
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine
CID 109464450
1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
2-[2-(bromomethyl)-4,6-dichlorophenoxy]acetonitrile
CID 22241513
3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
CID 61269894
[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine (CID 60891469) is 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine is Clc1cc(Cl)c(OCCc2ccccn2)c(CBr)c1.
What is the InChIKey of 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine?
The InChIKey is BMQRSHYTNPFOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-9-10-7-11(16)8-13(17)14(10)19-6-4-12-3-1-2-5-18-12/h1-3,5,7-8H,4,6,9H2.
What are the key properties of 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine?
2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine has a molecular weight of 361.07 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine is sourced from PubChem (CID 60891469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).