2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine

C12H10BrClN2O — CID 112613819

IUPAC2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
SMILESClc1cccc(CBr)c1OCc1ncccn1
InChIInChI=1S/C12H10BrClN2O/c13-7-9-3-1-4-10(14)12(9)17-8-11-15-5-2-6-16-11/h1-6H,7-8H2
InChIKeyWAKGYBAOFLDQQZ-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.60
Rot. Bonds4

About 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine

2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine (PubChem CID 112613819) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
PubChem CID112613819
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
SMILESClc1cccc(CBr)c1OCc1ncccn1
InChIInChI=1S/C12H10BrClN2O/c13-7-9-3-1-4-10(14)12(9)17-8-11-15-5-2-6-16-11/h1-6H,7-8H2
InChIKeyWAKGYBAOFLDQQZ-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-(bromomethyl)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
CID 112613844
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741
1-(bromomethyl)-3-chloro-2-(2,2-difluoro-2-phenylethoxy)benzene
CID 116789822
5-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-1-propyl-1,2,4-triazole
CID 112613782
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
1-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-2-methyl-3-nitrobenzene
CID 115956758
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine (CID 112613819) is 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine is Clc1cccc(CBr)c1OCc1ncccn1.
What is the InChIKey of 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine?
The InChIKey is WAKGYBAOFLDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-7-9-3-1-4-10(14)12(9)17-8-11-15-5-2-6-16-11/h1-6H,7-8H2.
What are the key properties of 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine?
2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine has a molecular weight of 313.58 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine is sourced from PubChem (CID 112613819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).