3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine

C10H11BrN2 — CID 114412429

IUPAC3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
SMILESBrc1cnccc1N1CC=CCC1
InChIInChI=1S/C10H11BrN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2
InChIKeyBIUNRKPZVQTIIU-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.61
Rot. Bonds1

About 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine

3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine (PubChem CID 114412429) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
PubChem CID114412429
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
SMILESBrc1cnccc1N1CC=CCC1
InChIInChI=1S/C10H11BrN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2
InChIKeyBIUNRKPZVQTIIU-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412368
4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
CID 114410062
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
CID 104777973
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
CID 114682648
1-(3-bromo-4-pyridinyl)-4-(2-chloroethyl)piperazine
CID 104779395
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine (CID 114412429) is 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine is Brc1cnccc1N1CC=CCC1.
What is the InChIKey of 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine?
The InChIKey is BIUNRKPZVQTIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine?
3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine has a molecular weight of 239.12 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine is sourced from PubChem (CID 114412429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).