4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine

C15H16BrNO — CID 43324541

IUPAC4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine
SMILESCc1cc(CBr)cc(C)c1OCc1ccncc1
InChIInChI=1S/C15H16BrNO/c1-11-7-14(9-16)8-12(2)15(11)18-10-13-3-5-17-6-4-13/h3-8H,9-10H2,1-2H3
InChIKeyRSHRHJPKAWHEQK-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.17
Rot. Bonds4

About 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine

4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine (PubChem CID 43324541) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine
PubChem CID43324541
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine
SMILESCc1cc(CBr)cc(C)c1OCc1ccncc1
InChIInChI=1S/C15H16BrNO/c1-11-7-14(9-16)8-12(2)15(11)18-10-13-3-5-17-6-4-13/h3-8H,9-10H2,1-2H3
InChIKeyRSHRHJPKAWHEQK-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.17
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

4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
5-(bromomethyl)-1,3-dimethyl-2-[(4-nitrophenyl)methoxy]benzene
CID 43324538
5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
CID 112620547
5-(bromomethyl)-2-[(2,5-difluorophenyl)methoxy]-1,3-dimethylbenzene
CID 63535162
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
N-[[5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115961429
5-(bromomethyl)-1,3-dimethyl-2-(2,2,2-trifluoroethoxy)benzene
CID 43141520
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
5-(bromomethyl)-1,3-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 10784024
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine?
The IUPAC name of 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine (CID 43324541) is 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine?
The canonical SMILES for 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine is Cc1cc(CBr)cc(C)c1OCc1ccncc1.
What is the InChIKey of 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine?
The InChIKey is RSHRHJPKAWHEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-7-14(9-16)8-12(2)15(11)18-10-13-3-5-17-6-4-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine?
4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine has a molecular weight of 306.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine is sourced from PubChem (CID 43324541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).