5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine

C13H15BrN2O — CID 112690448

IUPAC5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
SMILESCc1cc(C(C)Nc2cncc(Br)c2)c(C)o1
InChIInChI=1S/C13H15BrN2O/c1-8-4-13(10(3)17-8)9(2)16-12-5-11(14)6-15-7-12/h4-7,9,16H,1-3H3
InChIKeyHURRSQJZHXRINM-UHFFFAOYSA-N
MW295.18 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine (PubChem CID 112690448) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
PubChem CID112690448
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
SMILESCc1cc(C(C)Nc2cncc(Br)c2)c(C)o1
InChIInChI=1S/C13H15BrN2O/c1-8-4-13(10(3)17-8)9(2)16-12-5-11(14)6-15-7-12/h4-7,9,16H,1-3H3
InChIKeyHURRSQJZHXRINM-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104533947
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-3-amine
CID 106544957
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
CID 43121192
2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile
CID 107276207
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697556
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
CID 103915139
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine (CID 112690448) is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine is Cc1cc(C(C)Nc2cncc(Br)c2)c(C)o1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine?
The InChIKey is HURRSQJZHXRINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-4-13(10(3)17-8)9(2)16-12-5-11(14)6-15-7-12/h4-7,9,16H,1-3H3.
What are the key properties of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine?
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine has a molecular weight of 295.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 112690448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).