1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane

C15H23BrN2 — CID 105367961

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
SMILESCCCC1CCCN(c2ncc(C)cc2Br)CC1
InChIInChI=1S/C15H23BrN2/c1-3-5-13-6-4-8-18(9-7-13)15-14(16)10-12(2)11-17-15/h10-11,13H,3-9H2,1-2H3
InChIKeyQFKCFMITDRRONR-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.56
Rot. Bonds3

About 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane

1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane (PubChem CID 105367961) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
PubChem CID105367961
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
SMILESCCCC1CCCN(c2ncc(C)cc2Br)CC1
InChIInChI=1S/C15H23BrN2/c1-3-5-13-6-4-8-18(9-7-13)15-14(16)10-12(2)11-17-15/h10-11,13H,3-9H2,1-2H3
InChIKeyQFKCFMITDRRONR-UHFFFAOYSA-N
XLogP4.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane (CID 105367961) is 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane is CCCC1CCCN(c2ncc(C)cc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane?
The InChIKey is QFKCFMITDRRONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-5-13-6-4-8-18(9-7-13)15-14(16)10-12(2)11-17-15/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane?
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane has a molecular weight of 311.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane is sourced from PubChem (CID 105367961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).