2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde

C11H7Br2NO — CID 88924140

IUPAC2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde
SMILESO=CC(Br)c1cnc2cc(Br)ccc2c1
InChIInChI=1S/C11H7Br2NO/c12-9-2-1-7-3-8(10(13)6-15)5-14-11(7)4-9/h1-6,10H
InChIKeyQVNJVCUJPACKMQ-UHFFFAOYSA-N
MW328.99 g/mol
LogP3.63
Rot. Bonds2

About 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde

2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde (PubChem CID 88924140) has the molecular formula C11H7Br2NO and a molecular weight of 328.99 g/mol. Its IUPAC name is 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde
PubChem CID88924140
Molecular FormulaC11H7Br2NO
Molecular Weight328.99 g/mol
Exact Mass326.89
IUPAC Name2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde
SMILESO=CC(Br)c1cnc2cc(Br)ccc2c1
InChIInChI=1S/C11H7Br2NO/c12-9-2-1-7-3-8(10(13)6-15)5-14-11(7)4-9/h1-6,10H
InChIKeyQVNJVCUJPACKMQ-UHFFFAOYSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.99
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
2,7-dibromoquinoxaline
CID 827486
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
2-bromo-2-(3-bromo-5,7-dihydrobenzo[d][2]benzoxepin-9-yl)acetaldehyde
CID 87151367
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
7-fluoro-3-propan-2-ylquinoline
CID 118097497
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
CID 87653601
2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde
CID 87677672
7-bromo-2-methylquinazoline
CID 22607818
2-(6-bromoquinolin-2-yl)oxyacetaldehyde
CID 54381903
methyl 4-[1-(4-bromophenyl)-1-[7-(trifluoromethyl)quinolin-3-yl]pentan-2-yl]benzoate
CID 77264583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde?
The IUPAC name of 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde (CID 88924140) is 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde?
The canonical SMILES for 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde is O=CC(Br)c1cnc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde?
The InChIKey is QVNJVCUJPACKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO/c12-9-2-1-7-3-8(10(13)6-15)5-14-11(7)4-9/h1-6,10H.
What are the key properties of 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde?
2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde has a molecular weight of 328.99 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(7-bromoquinolin-3-yl)acetaldehyde is sourced from PubChem (CID 88924140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).