2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine

C12H16BrNO2 — CID 106929907

IUPAC2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine
SMILESCc1ccc(OCOCC2CC2)c(CBr)n1
InChIInChI=1S/C12H16BrNO2/c1-9-2-5-12(11(6-13)14-9)16-8-15-7-10-3-4-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyGZXHGRVWUDNKJR-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.05
Rot. Bonds6

About 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine

2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine (PubChem CID 106929907) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine
PubChem CID106929907
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine
SMILESCc1ccc(OCOCC2CC2)c(CBr)n1
InChIInChI=1S/C12H16BrNO2/c1-9-2-5-12(11(6-13)14-9)16-8-15-7-10-3-4-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyGZXHGRVWUDNKJR-UHFFFAOYSA-N
XLogP3.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine (CID 106929907) is 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine is Cc1ccc(OCOCC2CC2)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine?
The InChIKey is GZXHGRVWUDNKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9-2-5-12(11(6-13)14-9)16-8-15-7-10-3-4-10/h2,5,10H,3-4,6-8H2,1H3.
What are the key properties of 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine?
2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine has a molecular weight of 286.17 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine is sourced from PubChem (CID 106929907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).