3-(bromomethoxy)quinoline

C10H8BrNO — CID 54277099

IUPAC3-(bromomethoxy)quinoline
SMILESBrCOc1cnc2ccccc2c1
InChIInChI=1S/C10H8BrNO/c11-7-13-9-5-8-3-1-2-4-10(8)12-6-9/h1-6H,7H2
InChIKeyRODYTFXPNNMQGH-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.97
Rot. Bonds2

About 3-(bromomethoxy)quinoline

3-(bromomethoxy)quinoline (PubChem CID 54277099) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-(bromomethoxy)quinoline.

Molecular Properties

Compound Name3-(bromomethoxy)quinoline
PubChem CID54277099
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-(bromomethoxy)quinoline
SMILESBrCOc1cnc2ccccc2c1
InChIInChI=1S/C10H8BrNO/c11-7-13-9-5-8-3-1-2-4-10(8)12-6-9/h1-6H,7H2
InChIKeyRODYTFXPNNMQGH-UHFFFAOYSA-N
XLogP2.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473
3-prop-2-ynoxyquinoline
CID 102847055
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
3-[(5-bromo-2-pyridinyl)methoxy]quinoline
CID 107388127
2-chloro-3-quinolin-3-yloxypropanoic acid
CID 107387997
2,2-dimethyl-3-quinolin-3-yloxypropane-1-thiol
CID 107388367
3-(3-methylbut-2-enoxy)quinoline
CID 107388245
3-methylsulfanyloxyquinoline
CID 174462861
2-quinolin-3-yloxyethanesulfonyl chloride
CID 107388048
3-quinolin-3-yloxypropanamide
CID 107388241

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethoxy)quinoline?
The IUPAC name of 3-(bromomethoxy)quinoline (CID 54277099) is 3-(bromomethoxy)quinoline.
What is the SMILES notation for 3-(bromomethoxy)quinoline?
The canonical SMILES for 3-(bromomethoxy)quinoline is BrCOc1cnc2ccccc2c1.
What is the InChIKey of 3-(bromomethoxy)quinoline?
The InChIKey is RODYTFXPNNMQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-7-13-9-5-8-3-1-2-4-10(8)12-6-9/h1-6H,7H2.
What are the key properties of 3-(bromomethoxy)quinoline?
3-(bromomethoxy)quinoline has a molecular weight of 238.08 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethoxy)quinoline is sourced from PubChem (CID 54277099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).