1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane

C13H19BrN2 — CID 114870444

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
SMILESCc1cc(N2CCCCCC2C)ncc1Br
InChIInChI=1S/C13H19BrN2/c1-10-8-13(15-9-12(10)14)16-7-5-3-4-6-11(16)2/h8-9,11H,3-7H2,1-2H3
InChIKeyHXXJLJOCUSKMIE-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.92
Rot. Bonds1

About 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane

1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane (PubChem CID 114870444) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
PubChem CID114870444
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
SMILESCc1cc(N2CCCCCC2C)ncc1Br
InChIInChI=1S/C13H19BrN2/c1-10-8-13(15-9-12(10)14)16-7-5-3-4-6-11(16)2/h8-9,11H,3-7H2,1-2H3
InChIKeyHXXJLJOCUSKMIE-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(2-methylpiperidin-1-yl)pyridin-4-amine
CID 83265979
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99905990
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 114869612
5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine
CID 102786240
6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80835319
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
1-(5-bromopyrimidin-4-yl)-2-methylazepane
CID 66321136
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylazepane
CID 106998939

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane (CID 114870444) is 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane is Cc1cc(N2CCCCCC2C)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane?
The InChIKey is HXXJLJOCUSKMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-8-13(15-9-12(10)14)16-7-5-3-4-6-11(16)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane?
1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane has a molecular weight of 283.21 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane is sourced from PubChem (CID 114870444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).