propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate

C11H15BrN2O2 — CID 133054467

IUPACpropan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Br)cnc1N(C)C
InChIInChI=1S/C11H15BrN2O2/c1-7(2)16-11(15)9-5-8(12)6-13-10(9)14(3)4/h5-7H,1-4H3
InChIKeyCKAZQRVVSBRRBZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.48
Rot. Bonds3

About propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate

propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate (PubChem CID 133054467) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
PubChem CID133054467
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Namepropan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Br)cnc1N(C)C
InChIInChI=1S/C11H15BrN2O2/c1-7(2)16-11(15)9-5-8(12)6-13-10(9)14(3)4/h5-7H,1-4H3
InChIKeyCKAZQRVVSBRRBZ-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
CID 133062597
propan-2-yl 5-bromopyrimidine-2-carboxylate
CID 133061303
N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119998007
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119529446
[5-bromo-2-(dimethylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146131648
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 133056794
propan-2-yl 4-bromo-2-ethylbenzoate
CID 22568988
5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide
CID 166224688
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate (CID 133054467) is propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate is CC(C)OC(=O)c1cc(Br)cnc1N(C)C.
What is the InChIKey of propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate?
The InChIKey is CKAZQRVVSBRRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(2)16-11(15)9-5-8(12)6-13-10(9)14(3)4/h5-7H,1-4H3.
What are the key properties of propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate?
propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate has a molecular weight of 287.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 133054467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).