3-bromoquinoline;hydrobromide

C9H7Br2N — CID 70190019

IUPAC3-bromoquinoline;hydrobromide
SMILESBr.Brc1cnc2ccccc2c1
InChIInChI=1S/C9H6BrN.BrH/c10-8-5-7-3-1-2-4-9(7)11-6-8;/h1-6H;1H
InChIKeyUEGUWTVXKKTSRE-UHFFFAOYSA-N
MW288.97 g/mol
LogP3.58
Rot. Bonds

About 3-bromoquinoline;hydrobromide

3-bromoquinoline;hydrobromide (PubChem CID 70190019) has the molecular formula C9H7Br2N and a molecular weight of 288.97 g/mol. Its IUPAC name is 3-bromoquinoline;hydrobromide.

Molecular Properties

Compound Name3-bromoquinoline;hydrobromide
PubChem CID70190019
Molecular FormulaC9H7Br2N
Molecular Weight288.97 g/mol
Exact Mass286.89
IUPAC Name3-bromoquinoline;hydrobromide
SMILESBr.Brc1cnc2ccccc2c1
InChIInChI=1S/C9H6BrN.BrH/c10-8-5-7-3-1-2-4-9(7)11-6-8;/h1-6H;1H
InChIKeyUEGUWTVXKKTSRE-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline
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3-[(4-bromophenyl)methyl]quinoline
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CID 174439431
CID 174439431
3-[(5-bromo-2-pyridinyl)methoxy]quinoline
CID 107388127
8-bromo-2,13-dithia-4,6,11,15,22-pentazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),6,8,11,14,16,18,20-decaene
CID 4179422
3-(bromomethoxy)quinoline
CID 54277099
bis(6-bromoquinoline);hydrate
CID 174834691
nickel;quinoline-3-thiol;sulfanide
CID 175270394
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
3-bromo-7-methoxyquinoline
CID 18788548
N-quinolin-3-ylhydroxylamine
CID 54286324

Frequently Asked Questions

What is the IUPAC name of 3-bromoquinoline;hydrobromide?
The IUPAC name of 3-bromoquinoline;hydrobromide (CID 70190019) is 3-bromoquinoline;hydrobromide.
What is the SMILES notation for 3-bromoquinoline;hydrobromide?
The canonical SMILES for 3-bromoquinoline;hydrobromide is Br.Brc1cnc2ccccc2c1.
What is the InChIKey of 3-bromoquinoline;hydrobromide?
The InChIKey is UEGUWTVXKKTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN.BrH/c10-8-5-7-3-1-2-4-9(7)11-6-8;/h1-6H;1H.
What are the key properties of 3-bromoquinoline;hydrobromide?
3-bromoquinoline;hydrobromide has a molecular weight of 288.97 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinoline;hydrobromide is sourced from PubChem (CID 70190019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).