2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde

C7H4Br2ClNO — CID 118484940

IUPAC2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde
SMILESO=CC(Br)c1ncc(Br)cc1Cl
InChIInChI=1S/C7H4Br2ClNO/c8-4-1-6(10)7(11-2-4)5(9)3-12/h1-3,5H
InChIKeyDHWKHIJPFADWJN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.13
Rot. Bonds2

About 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde

2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde (PubChem CID 118484940) has the molecular formula C7H4Br2ClNO and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde
PubChem CID118484940
Molecular FormulaC7H4Br2ClNO
Molecular Weight313.38 g/mol
Exact Mass310.83
IUPAC Name2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde
SMILESO=CC(Br)c1ncc(Br)cc1Cl
InChIInChI=1S/C7H4Br2ClNO/c8-4-1-6(10)7(11-2-4)5(9)3-12/h1-3,5H
InChIKeyDHWKHIJPFADWJN-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.13
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

5-Bromo-3-chloropyridine-2-carbaldehyde
CID 44754888
5-Bromo-4-chloro-2-pyridinecarboxaldehyde
CID 59408687
3-Bromo-5-chloropyridine-2-carbaldehyde
CID 71699986
2-(5-Bromo-3-chloropyridin-2-yl)acetic acid
CID 72206857
1-(5-Bromo-3-chloropyridin-2-yl)ethan-1-one
CID 91658963
1-(3-Bromo-5-chloropyridin-2-yl)ethanone
CID 71744169
2-Pyridinecarboxaldehyde, 4-bromo-5-chloro-
CID 118828194
2-Bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde
CID 87301723
2-Bromo-2-(4-fluoro-2-pyridinyl)acetaldehyde
CID 87302263
2-(5-Bromo-2-pyridinyl)-2,2-difluoroacetaldehyde
CID 87580038
2-Bromo-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetaldehyde
CID 87600540
2-Bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetaldehyde
CID 87926516

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde?
The IUPAC name of 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde (CID 118484940) is 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde?
The canonical SMILES for 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde is O=CC(Br)c1ncc(Br)cc1Cl.
What is the InChIKey of 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde?
The InChIKey is DHWKHIJPFADWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClNO/c8-4-1-6(10)7(11-2-4)5(9)3-12/h1-3,5H.
What are the key properties of 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde?
2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde has a molecular weight of 313.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde is sourced from PubChem (CID 118484940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).