2-bromo-1H-quinoline-2-carbaldehyde

C10H8BrNO — CID 151252670

IUPAC2-bromo-1H-quinoline-2-carbaldehyde
SMILESO=CC1(Br)C=Cc2ccccc2N1
InChIInChI=1S/C10H8BrNO/c11-10(7-13)6-5-8-3-1-2-4-9(8)12-10/h1-7,12H
InChIKeyNSQWCKAEYMDHSR-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.42
Rot. Bonds1

About 2-bromo-1H-quinoline-2-carbaldehyde

2-bromo-1H-quinoline-2-carbaldehyde (PubChem CID 151252670) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-bromo-1H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name2-bromo-1H-quinoline-2-carbaldehyde
PubChem CID151252670
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name2-bromo-1H-quinoline-2-carbaldehyde
SMILESO=CC1(Br)C=Cc2ccccc2N1
InChIInChI=1S/C10H8BrNO/c11-10(7-13)6-5-8-3-1-2-4-9(8)12-10/h1-7,12H
InChIKeyNSQWCKAEYMDHSR-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[1H-quinoline-2,1'-cyclobutane]
CID 154342616
2-(bromomethyl)-2-chloro-1H-quinoline
CID 69025724
2-prop-2-enyl-1H-quinolin-2-ol
CID 138562651
(2-methyl-1H-quinolin-2-yl)boronic acid
CID 175507956
2-(1H-quinolin-2-ylidene)-1H-quinoline
CID 162286112
2-methyl-2-thiophen-3-yl-1H-quinoline
CID 156636113
1H-1-benzazepine-3-carbaldehyde
CID 19105078
1H-3,1-benzoxazepin-2-one
CID 154047392
(2R)-spiro[1,3-dihydroindole-2,2'-chromene]
CID 102496123
2,3-difluoro-2-methyl-1H-quinoline
CID 139301743
2-methylsulfanyl-1H-1-benzazepine
CID 70427825
6-bromo-9-methylbenzo[7]annulene-9-carbaldehyde
CID 13400882

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-quinoline-2-carbaldehyde?
The IUPAC name of 2-bromo-1H-quinoline-2-carbaldehyde (CID 151252670) is 2-bromo-1H-quinoline-2-carbaldehyde.
What is the SMILES notation for 2-bromo-1H-quinoline-2-carbaldehyde?
The canonical SMILES for 2-bromo-1H-quinoline-2-carbaldehyde is O=CC1(Br)C=Cc2ccccc2N1.
What is the InChIKey of 2-bromo-1H-quinoline-2-carbaldehyde?
The InChIKey is NSQWCKAEYMDHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-10(7-13)6-5-8-3-1-2-4-9(8)12-10/h1-7,12H.
What are the key properties of 2-bromo-1H-quinoline-2-carbaldehyde?
2-bromo-1H-quinoline-2-carbaldehyde has a molecular weight of 238.08 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-quinoline-2-carbaldehyde is sourced from PubChem (CID 151252670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).