6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde

C12H7BrClNO2 — CID 80631140

IUPAC6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C12H7BrClNO2/c13-9-2-3-11(10(14)5-9)17-12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyWMDLGMIYRYIVKR-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.10
Rot. Bonds3

About 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde

6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde (PubChem CID 80631140) has the molecular formula C12H7BrClNO2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
PubChem CID80631140
Molecular FormulaC12H7BrClNO2
Molecular Weight312.55 g/mol
Exact Mass310.93
IUPAC Name6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C12H7BrClNO2/c13-9-2-3-11(10(14)5-9)17-12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyWMDLGMIYRYIVKR-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633344
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
4-[3-(4-bromo-2-chlorophenoxy)propoxy]-3-methoxybenzaldehyde
CID 2283415
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
6-(4-chloro-2,6-dimethylphenoxy)pyridine-3-carbaldehyde
CID 80632849
5-chloro-2-(2,4-dibromophenoxy)pyridine
CID 66232099
4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
CID 155316701
1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2540560
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde (CID 80631140) is 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccc(Br)cc2Cl)nc1.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde?
The InChIKey is WMDLGMIYRYIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO2/c13-9-2-3-11(10(14)5-9)17-12-4-1-8(7-16)6-15-12/h1-7H.
What are the key properties of 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde?
6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde has a molecular weight of 312.55 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).