5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide

C16H19BrN2O — CID 69060308

IUPAC5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.c1cc(-c2ccc(C34CCCN(CC3)C4)cn2)co1
InChIInChI=1S/C16H18N2O.BrH/c1-5-16(6-8-18(7-1)12-16)14-2-3-15(17-10-14)13-4-9-19-11-13;/h2-4,9-11H,1,5-8,12H2;1H
InChIKeyLSULVZAKGMSMEW-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.66
Rot. Bonds2

About 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide

5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide (PubChem CID 69060308) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide.

Molecular Properties

Compound Name5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide
PubChem CID69060308
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.c1cc(-c2ccc(C34CCCN(CC3)C4)cn2)co1
InChIInChI=1S/C16H18N2O.BrH/c1-5-16(6-8-18(7-1)12-16)14-2-3-15(17-10-14)13-4-9-19-11-13;/h2-4,9-11H,1,5-8,12H2;1H
InChIKeyLSULVZAKGMSMEW-UHFFFAOYSA-N
XLogP3.66
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyridin-3-yl-methyl]-benzamide
CID 44395473
4-(2-Furan-3-yl-5-phenyl-1H-pyrrol-3-yl)-pyridine
CID 44324117
2-{[5-(2-Furyl)pyridin-3-yl]ethynyl}-6-methylpyridine
CID 44392451
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyridin-2-yl-methyl]-benzamide
CID 44395649
4-[2-Furan-3-yl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399577
2-(Furan-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137650545
4-(Furan-3-yl)-2,6-dipyridin-2-ylpyridine
CID 10447455
4-(Furan-2-yl)-2-pyridin-2-ylpyridine
CID 44276126
(2E)-3-(2-furyl)-N,2-dimethyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]prop-2-en-1-amine
CID 46993820
1-Cyclohexyl-4-{[6-(3-furyl)pyridin-3-yl]carbonyl}-1,4-diazepane
CID 56739981
(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97384253
7-(Furan-3-ylmethyl)-2-pyridin-4-yl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97415860

Frequently Asked Questions

What is the IUPAC name of 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide?
The IUPAC name of 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide (CID 69060308) is 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide.
What is the SMILES notation for 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide?
The canonical SMILES for 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide is Br.c1cc(-c2ccc(C34CCCN(CC3)C4)cn2)co1.
What is the InChIKey of 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide?
The InChIKey is LSULVZAKGMSMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.BrH/c1-5-16(6-8-18(7-1)12-16)14-2-3-15(17-10-14)13-4-9-19-11-13;/h2-4,9-11H,1,5-8,12H2;1H.
What are the key properties of 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide?
5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide has a molecular weight of 335.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide is sourced from PubChem (CID 69060308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).