2,4,5-tribromopyridine-3-carbaldehyde

C6H2Br3NO — CID 169113247

IUPAC2,4,5-tribromopyridine-3-carbaldehyde
SMILESO=Cc1c(Br)ncc(Br)c1Br
InChIInChI=1S/C6H2Br3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H
InChIKeyJTGFWIHKTJNWIR-UHFFFAOYSA-N
MW343.80 g/mol
LogP3.18
Rot. Bonds1

About 2,4,5-tribromopyridine-3-carbaldehyde

2,4,5-tribromopyridine-3-carbaldehyde (PubChem CID 169113247) has the molecular formula C6H2Br3NO and a molecular weight of 343.80 g/mol. Its IUPAC name is 2,4,5-tribromopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,4,5-tribromopyridine-3-carbaldehyde
PubChem CID169113247
Molecular FormulaC6H2Br3NO
Molecular Weight343.80 g/mol
Exact Mass340.77
IUPAC Name2,4,5-tribromopyridine-3-carbaldehyde
SMILESO=Cc1c(Br)ncc(Br)c1Br
InChIInChI=1S/C6H2Br3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H
InChIKeyJTGFWIHKTJNWIR-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
CID 131322690
5-bromo-3-chloro-2-fluoropyridine-4-carbaldehyde
CID 131583731
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
3-bromo-5-chloro-2-fluoropyridine-4-carbaldehyde
CID 131322697
5-bromo-4-formyl-2-methylpyridine-3-carboxylic acid
CID 134259081
2,3-dibromo-6-hydroxybenzaldehyde
CID 87379563
2-amino-5-bromopyrimidine-4-carbaldehyde
CID 71748580
2,3-dibromo-5,6-difluorobenzaldehyde
CID 51000178
2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118704160
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
2-bromo-5-methylpyridine-3-carbaldehyde
CID 70701053
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tribromopyridine-3-carbaldehyde?
The IUPAC name of 2,4,5-tribromopyridine-3-carbaldehyde (CID 169113247) is 2,4,5-tribromopyridine-3-carbaldehyde.
What is the SMILES notation for 2,4,5-tribromopyridine-3-carbaldehyde?
The canonical SMILES for 2,4,5-tribromopyridine-3-carbaldehyde is O=Cc1c(Br)ncc(Br)c1Br.
What is the InChIKey of 2,4,5-tribromopyridine-3-carbaldehyde?
The InChIKey is JTGFWIHKTJNWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H.
What are the key properties of 2,4,5-tribromopyridine-3-carbaldehyde?
2,4,5-tribromopyridine-3-carbaldehyde has a molecular weight of 343.80 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tribromopyridine-3-carbaldehyde is sourced from PubChem (CID 169113247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).