(5-bromo-3-methyl-2-pyridinyl) propanoate

C9H10BrNO2 — CID 150932448

IUPAC(5-bromo-3-methyl-2-pyridinyl) propanoate
SMILESCCC(=O)Oc1ncc(Br)cc1C
InChIInChI=1S/C9H10BrNO2/c1-3-8(12)13-9-6(2)4-7(10)5-11-9/h4-5H,3H2,1-2H3
InChIKeyLGHWGOVOXMBIAS-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.47
Rot. Bonds2

About (5-bromo-3-methyl-2-pyridinyl) propanoate

(5-bromo-3-methyl-2-pyridinyl) propanoate (PubChem CID 150932448) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is (5-bromo-3-methyl-2-pyridinyl) propanoate.

Molecular Properties

Compound Name(5-bromo-3-methyl-2-pyridinyl) propanoate
PubChem CID150932448
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(5-bromo-3-methyl-2-pyridinyl) propanoate
SMILESCCC(=O)Oc1ncc(Br)cc1C
InChIInChI=1S/C9H10BrNO2/c1-3-8(12)13-9-6(2)4-7(10)5-11-9/h4-5H,3H2,1-2H3
InChIKeyLGHWGOVOXMBIAS-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135283054
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546
N-(5-bromo-2-methoxy-3-pyridinyl)propanamide
CID 71304513
(2,4,6-tribromophenyl) propanoate
CID 3018659
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
(4-methyl-1,2-oxazol-3-yl) propanoate
CID 175056211
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
CID 138985890

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-2-pyridinyl) propanoate?
The IUPAC name of (5-bromo-3-methyl-2-pyridinyl) propanoate (CID 150932448) is (5-bromo-3-methyl-2-pyridinyl) propanoate.
What is the SMILES notation for (5-bromo-3-methyl-2-pyridinyl) propanoate?
The canonical SMILES for (5-bromo-3-methyl-2-pyridinyl) propanoate is CCC(=O)Oc1ncc(Br)cc1C.
What is the InChIKey of (5-bromo-3-methyl-2-pyridinyl) propanoate?
The InChIKey is LGHWGOVOXMBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-3-8(12)13-9-6(2)4-7(10)5-11-9/h4-5H,3H2,1-2H3.
What are the key properties of (5-bromo-3-methyl-2-pyridinyl) propanoate?
(5-bromo-3-methyl-2-pyridinyl) propanoate has a molecular weight of 244.09 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-2-pyridinyl) propanoate is sourced from PubChem (CID 150932448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).