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

C9H16BrN — CID 174983516

IUPAC2-methyl-1-propyl-2H-pyridine;hydrobromide
SMILESBr.CCCN1C=CC=CC1C
InChIInChI=1S/C9H15N.BrH/c1-3-7-10-8-5-4-6-9(10)2;/h4-6,8-9H,3,7H2,1-2H3;1H
InChIKeyCOSBOIRPEMLKFG-UHFFFAOYSA-N
MW218.14 g/mol
LogP2.75
Rot. Bonds2

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

2-methyl-1-propyl-2H-pyridine;hydrobromide (PubChem CID 174983516) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is 2-methyl-1-propyl-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name2-methyl-1-propyl-2H-pyridine;hydrobromide
PubChem CID174983516
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC Name2-methyl-1-propyl-2H-pyridine;hydrobromide
SMILESBr.CCCN1C=CC=CC1C
InChIInChI=1S/C9H15N.BrH/c1-3-7-10-8-5-4-6-9(10)2;/h4-6,8-9H,3,7H2,1-2H3;1H
InChIKeyCOSBOIRPEMLKFG-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

Analyze 2-methyl-1-propyl-2H-pyridine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide
CID 175128550
2-bromo-1-hexyl-2H-pyridine
CID 161493012
1-butyl-2-hexyl-2H-pyridine
CID 141363416
1-ethyl-2H-pyridin-2-amine;hydrobromide
CID 174660066
2,3-dimethyl-1-propyl-2H-pyridine;hydrochloride
CID 174900251
1,2-dibutyl-2,3-dihydroazepin-3-amine
CID 70625505
2-(1-pentyl-2H-pyridin-2-yl)acetic acid
CID 162720512
1,2-dimethyl-3-propyl-2H-imidazole;hydrate
CID 172840578
CID 161330057
CID 161330057
1-butyl-2,3-dimethyl-2H-pyridine
CID 21495188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propyl-2H-pyridine;hydrobromide?
The IUPAC name of 2-methyl-1-propyl-2H-pyridine;hydrobromide (CID 174983516) is 2-methyl-1-propyl-2H-pyridine;hydrobromide.
What is the SMILES notation for 2-methyl-1-propyl-2H-pyridine;hydrobromide?
The canonical SMILES for 2-methyl-1-propyl-2H-pyridine;hydrobromide is Br.CCCN1C=CC=CC1C.
What is the InChIKey of 2-methyl-1-propyl-2H-pyridine;hydrobromide?
The InChIKey is COSBOIRPEMLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.BrH/c1-3-7-10-8-5-4-6-9(10)2;/h4-6,8-9H,3,7H2,1-2H3;1H.
What are the key properties of 2-methyl-1-propyl-2H-pyridine;hydrobromide?
2-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 2-methyl-1-propyl-2H-pyridine;hydrobromide is sourced from PubChem (CID 174983516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).