3-methyl-1-propyl-2H-pyridine;hydrobromide

C9H16BrN — CID 174983527

IUPAC3-methyl-1-propyl-2H-pyridine;hydrobromide
SMILESBr.CCCN1C=CC=C(C)C1
InChIInChI=1S/C9H15N.BrH/c1-3-6-10-7-4-5-9(2)8-10;/h4-5,7H,3,6,8H2,1-2H3;1H
InChIKeyGSBBQWMPXQBHKR-UHFFFAOYSA-N
MW218.14 g/mol
LogP2.75
Rot. Bonds2

About 3-methyl-1-propyl-2H-pyridine;hydrobromide

3-methyl-1-propyl-2H-pyridine;hydrobromide (PubChem CID 174983527) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is 3-methyl-1-propyl-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name3-methyl-1-propyl-2H-pyridine;hydrobromide
PubChem CID174983527
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC Name3-methyl-1-propyl-2H-pyridine;hydrobromide
SMILESBr.CCCN1C=CC=C(C)C1
InChIInChI=1S/C9H15N.BrH/c1-3-6-10-7-4-5-9(2)8-10;/h4-5,7H,3,6,8H2,1-2H3;1H
InChIKeyGSBBQWMPXQBHKR-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-2H-pyridine;hydrobromide?
The IUPAC name of 3-methyl-1-propyl-2H-pyridine;hydrobromide (CID 174983527) is 3-methyl-1-propyl-2H-pyridine;hydrobromide.
What is the SMILES notation for 3-methyl-1-propyl-2H-pyridine;hydrobromide?
The canonical SMILES for 3-methyl-1-propyl-2H-pyridine;hydrobromide is Br.CCCN1C=CC=C(C)C1.
What is the InChIKey of 3-methyl-1-propyl-2H-pyridine;hydrobromide?
The InChIKey is GSBBQWMPXQBHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.BrH/c1-3-6-10-7-4-5-9(2)8-10;/h4-5,7H,3,6,8H2,1-2H3;1H.
What are the key properties of 3-methyl-1-propyl-2H-pyridine;hydrobromide?
3-methyl-1-propyl-2H-pyridine;hydrobromide has a molecular weight of 218.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-2H-pyridine;hydrobromide is sourced from PubChem (CID 174983527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).