2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine

C10H14BrNO — CID 79169783

IUPAC2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine
SMILESCc1ccc(OC(C)C)c(CBr)n1
InChIInChI=1S/C10H14BrNO/c1-7(2)13-10-5-4-8(3)12-9(10)6-11/h4-5,7H,6H2,1-3H3
InChIKeySPRCCXHLTHXUEL-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.07
Rot. Bonds3

About 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine

2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine (PubChem CID 79169783) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine
PubChem CID79169783
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine
SMILESCc1ccc(OC(C)C)c(CBr)n1
InChIInChI=1S/C10H14BrNO/c1-7(2)13-10-5-4-8(3)12-9(10)6-11/h4-5,7H,6H2,1-3H3
InChIKeySPRCCXHLTHXUEL-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.07
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

(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
2-bromo-6-methyl-3-propan-2-yloxypyridine
CID 154814935
2-(bromomethyl)-6-methyl-3-(2-propan-2-ylsulfonylethoxy)pyridine
CID 106726592
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol
CID 91374790
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112590230
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine
CID 106929907
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103135403

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine?
The IUPAC name of 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine (CID 79169783) is 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine is Cc1ccc(OC(C)C)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine?
The InChIKey is SPRCCXHLTHXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(2)13-10-5-4-8(3)12-9(10)6-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine?
2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine has a molecular weight of 244.13 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine is sourced from PubChem (CID 79169783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).