acetic acid;2-propylpyridine;hydrobromide

C10H16BrNO2 — CID 70094168

IUPACacetic acid;2-propylpyridine;hydrobromide
SMILESBr.CC(=O)O.CCCc1ccccn1
InChIInChI=1S/C8H11N.C2H4O2.BrH/c1-2-5-8-6-3-4-7-9-8;1-2(3)4;/h3-4,6-7H,2,5H2,1H3;1H3,(H,3,4);1H
InChIKeyZWIKCWHKMDJTQA-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.70
Rot. Bonds2

About acetic acid;2-propylpyridine;hydrobromide

acetic acid;2-propylpyridine;hydrobromide (PubChem CID 70094168) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is acetic acid;2-propylpyridine;hydrobromide.

Molecular Properties

Compound Nameacetic acid;2-propylpyridine;hydrobromide
PubChem CID70094168
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Nameacetic acid;2-propylpyridine;hydrobromide
SMILESBr.CC(=O)O.CCCc1ccccn1
InChIInChI=1S/C8H11N.C2H4O2.BrH/c1-2-5-8-6-3-4-7-9-8;1-2(3)4;/h3-4,6-7H,2,5H2,1H3;1H3,(H,3,4);1H
InChIKeyZWIKCWHKMDJTQA-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-propylpyridine;hydrobromide?
The IUPAC name of acetic acid;2-propylpyridine;hydrobromide (CID 70094168) is acetic acid;2-propylpyridine;hydrobromide.
What is the SMILES notation for acetic acid;2-propylpyridine;hydrobromide?
The canonical SMILES for acetic acid;2-propylpyridine;hydrobromide is Br.CC(=O)O.CCCc1ccccn1.
What is the InChIKey of acetic acid;2-propylpyridine;hydrobromide?
The InChIKey is ZWIKCWHKMDJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4O2.BrH/c1-2-5-8-6-3-4-7-9-8;1-2(3)4;/h3-4,6-7H,2,5H2,1H3;1H3,(H,3,4);1H.
What are the key properties of acetic acid;2-propylpyridine;hydrobromide?
acetic acid;2-propylpyridine;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-propylpyridine;hydrobromide is sourced from PubChem (CID 70094168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).