5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid

C13H17BrN2O3 — CID 62000205

IUPAC5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CC1CCCO1)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H17BrN2O3/c1-2-16(8-10-4-3-5-19-10)12-11(13(17)18)6-9(14)7-15-12/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyXDDMQCHYALZVHE-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.55
Rot. Bonds5

About 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid

5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 62000205) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID62000205
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CC1CCCO1)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H17BrN2O3/c1-2-16(8-10-4-3-5-19-10)12-11(13(17)18)6-9(14)7-15-12/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyXDDMQCHYALZVHE-UHFFFAOYSA-N
XLogP2.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
4-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]benzoic acid
CID 61434621
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179962
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457647
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 62000205) is 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid is CCN(CC1CCCO1)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is XDDMQCHYALZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-2-16(8-10-4-3-5-19-10)12-11(13(17)18)6-9(14)7-15-12/h6-7,10H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 329.19 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).