3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane

C14H19BrN2O — CID 169082182

IUPAC3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane
SMILESBrc1cncc(C2CC=CCN2)c1.C1CCOC1
InChIInChI=1S/C10H11BrN2.C4H8O/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10;1-2-4-5-3-1/h1-2,5-7,10,13H,3-4H2;1-4H2
InChIKeyPEBDPRAZVIJJCD-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.23
Rot. Bonds1

About 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane

3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane (PubChem CID 169082182) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane.

Molecular Properties

Compound Name3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane
PubChem CID169082182
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane
SMILESBrc1cncc(C2CC=CCN2)c1.C1CCOC1
InChIInChI=1S/C10H11BrN2.C4H8O/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10;1-2-4-5-3-1/h1-2,5-7,10,13H,3-4H2;1-4H2
InChIKeyPEBDPRAZVIJJCD-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
5-(5-bromo-3-pyridinyl)pyrazolidin-3-one
CID 77218999
3-bromo-5-(1,4-dioxan-2-yl)pyridine
CID 130067630
3-bromo-5-(2-bromocyclopropyl)pyridine
CID 164645028
2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride
CID 122236370
2-(5-bromo-3-pyridinyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322900
magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;oxolane;bromide
CID 160861479
4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
CID 102567776
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
6,9,12,26,29,32-hexaoxa-2,16,19,22,36,39-hexazatricyclo[35.3.1.117,21]dotetraconta-1(41),17(42),18,20,37,39-hexaene
CID 86069046
(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxamide
CID 166243845

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane?
The IUPAC name of 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane (CID 169082182) is 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane.
What is the SMILES notation for 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane?
The canonical SMILES for 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane is Brc1cncc(C2CC=CCN2)c1.C1CCOC1.
What is the InChIKey of 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane?
The InChIKey is PEBDPRAZVIJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2.C4H8O/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10;1-2-4-5-3-1/h1-2,5-7,10,13H,3-4H2;1-4H2.
What are the key properties of 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane?
3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane has a molecular weight of 311.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine;oxolane is sourced from PubChem (CID 169082182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).