(5-bromo-2-pyridinyl)methyl acetate

C8H8BrNO2 — CID 66893537

IUPAC(5-bromo-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1ccc(Br)cn1
InChIInChI=1S/C8H8BrNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3
InChIKeyWKCUXYCQTSQQCW-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.91
Rot. Bonds2

About (5-bromo-2-pyridinyl)methyl acetate

(5-bromo-2-pyridinyl)methyl acetate (PubChem CID 66893537) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methyl acetate
PubChem CID66893537
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(5-bromo-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1ccc(Br)cn1
InChIInChI=1S/C8H8BrNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3
InChIKeyWKCUXYCQTSQQCW-UHFFFAOYSA-N
XLogP1.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
(5-bromo-2-pyridinyl)methyl 2-amino-5-methylbenzoate
CID 115622519
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
CID 174977338
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
(5-bromo-2-pyridinyl)methyl diethyl phosphate
CID 159956627
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
2-[(5-bromo-2-pyridinyl)methoxy]benzamide
CID 104809676
(5-bromo-2-pyridinyl)methyl 3-amino-2-ethoxybenzoate
CID 104808521

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methyl acetate?
The IUPAC name of (5-bromo-2-pyridinyl)methyl acetate (CID 66893537) is (5-bromo-2-pyridinyl)methyl acetate.
What is the SMILES notation for (5-bromo-2-pyridinyl)methyl acetate?
The canonical SMILES for (5-bromo-2-pyridinyl)methyl acetate is CC(=O)OCc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methyl acetate?
The InChIKey is WKCUXYCQTSQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)methyl acetate?
(5-bromo-2-pyridinyl)methyl acetate has a molecular weight of 230.06 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methyl acetate is sourced from PubChem (CID 66893537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).