2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine

C14H15BrN2O — CID 79169387

IUPAC2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
SMILESCc1ccc(OCCc2cccnc2)c(CBr)n1
InChIInChI=1S/C14H15BrN2O/c1-11-4-5-14(13(9-15)17-11)18-8-6-12-3-2-7-16-10-12/h2-5,7,10H,6,8-9H2,1H3
InChIKeyFWTXMHUNQNITKN-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.30
Rot. Bonds5

About 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine

2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine (PubChem CID 79169387) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
PubChem CID79169387
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
SMILESCc1ccc(OCCc2cccnc2)c(CBr)n1
InChIInChI=1S/C14H15BrN2O/c1-11-4-5-14(13(9-15)17-11)18-8-6-12-3-2-7-16-10-12/h2-5,7,10H,6,8-9H2,1H3
InChIKeyFWTXMHUNQNITKN-UHFFFAOYSA-N
XLogP3.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.30
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

N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 76991199
N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 63264808
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913485
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
3-[3-methyl-4-(2-pyridin-3-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63262710

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine (CID 79169387) is 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine is Cc1ccc(OCCc2cccnc2)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine?
The InChIKey is FWTXMHUNQNITKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-11-4-5-14(13(9-15)17-11)18-8-6-12-3-2-7-16-10-12/h2-5,7,10H,6,8-9H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine?
2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine has a molecular weight of 307.19 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine is sourced from PubChem (CID 79169387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).