3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine

C11H15BrN2O — CID 130590922

IUPAC3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCCN(c1ncccc1Br)C1CCOC1
InChIInChI=1S/C11H15BrN2O/c1-2-14(9-5-7-15-8-9)11-10(12)4-3-6-13-11/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyVTRYJACKFOQRHU-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.46
Rot. Bonds3

About 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine

3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 130590922) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID130590922
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCCN(c1ncccc1Br)C1CCOC1
InChIInChI=1S/C11H15BrN2O/c1-2-14(9-5-7-15-8-9)11-10(12)4-3-6-13-11/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyVTRYJACKFOQRHU-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 167967927
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
CID 75517964
[2-[cyclopropyl(ethyl)amino]-3-pyridinyl]methanol
CID 61257683
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
3-bromo-2-(oxan-4-yl)pyridine
CID 130058346
4-N-(3-bromo-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110265
3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 82754485
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
CID 21451098
1-(3-bromo-2-pyridinyl)-1-methylhydrazine
CID 53402715

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine (CID 130590922) is 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine is CCN(c1ncccc1Br)C1CCOC1.
What is the InChIKey of 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is VTRYJACKFOQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-14(9-5-7-15-8-9)11-10(12)4-3-6-13-11/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine?
3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130590922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).