2-(bromomethyl)-7-chloroquinoline

C10H7BrClN — CID 10244160

IUPAC2-(bromomethyl)-7-chloroquinoline
SMILESClc1ccc2ccc(CBr)nc2c1
InChIInChI=1S/C10H7BrClN/c11-6-9-4-2-7-1-3-8(12)5-10(7)13-9/h1-5H,6H2
InChIKeyWJOPLBNTJYROCF-UHFFFAOYSA-N
MW256.53 g/mol
LogP3.78
Rot. Bonds1

About 2-(bromomethyl)-7-chloroquinoline

2-(bromomethyl)-7-chloroquinoline (PubChem CID 10244160) has the molecular formula C10H7BrClN and a molecular weight of 256.53 g/mol. Its IUPAC name is 2-(bromomethyl)-7-chloroquinoline.

Molecular Properties

Compound Name2-(bromomethyl)-7-chloroquinoline
PubChem CID10244160
Molecular FormulaC10H7BrClN
Molecular Weight256.53 g/mol
Exact Mass254.95
IUPAC Name2-(bromomethyl)-7-chloroquinoline
SMILESClc1ccc2ccc(CBr)nc2c1
InChIInChI=1S/C10H7BrClN/c11-6-9-4-2-7-1-3-8(12)5-10(7)13-9/h1-5H,6H2
InChIKeyWJOPLBNTJYROCF-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-7-chloro-6-methylquinoline
CID 124706884
7-chloro-2-(2-methylsulfanylpropyl)quinoline
CID 143861620
6-chloro-2-(fluoromethyl)quinoline
CID 162400997
N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
CID 110490287
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
3-[2-(7-chloroquinolin-2-yl)ethyl]benzoic acid
CID 71122151
1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone
CID 19767903
7-chloro-2-(trifluoromethyl)quinoline
CID 11031724
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
3-bromo-7-chloro-2-methylquinoline
CID 151670813
7-chlorocinnoline
CID 21449408
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-chloroquinoline?
The IUPAC name of 2-(bromomethyl)-7-chloroquinoline (CID 10244160) is 2-(bromomethyl)-7-chloroquinoline.
What is the SMILES notation for 2-(bromomethyl)-7-chloroquinoline?
The canonical SMILES for 2-(bromomethyl)-7-chloroquinoline is Clc1ccc2ccc(CBr)nc2c1.
What is the InChIKey of 2-(bromomethyl)-7-chloroquinoline?
The InChIKey is WJOPLBNTJYROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN/c11-6-9-4-2-7-1-3-8(12)5-10(7)13-9/h1-5H,6H2.
What are the key properties of 2-(bromomethyl)-7-chloroquinoline?
2-(bromomethyl)-7-chloroquinoline has a molecular weight of 256.53 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-chloroquinoline is sourced from PubChem (CID 10244160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).