5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde

C14H12BrNO3 — CID 103523707

IUPAC5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2cncc(C=O)c2)c(OC)c1Br
InChIInChI=1S/C14H12BrNO3/c1-18-12-4-3-11(14(19-2)13(12)15)10-5-9(8-17)6-16-7-10/h3-8H,1-2H3
InChIKeyVEQFUFOSFFLNSO-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.34
Rot. Bonds4

About 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde

5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 103523707) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde
PubChem CID103523707
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2cncc(C=O)c2)c(OC)c1Br
InChIInChI=1S/C14H12BrNO3/c1-18-12-4-3-11(14(19-2)13(12)15)10-5-9(8-17)6-16-7-10/h3-8H,1-2H3
InChIKeyVEQFUFOSFFLNSO-UHFFFAOYSA-N
XLogP3.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde
CID 112694200
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
CID 103523706
5-(2-bromophenyl)pyridine-3-carbaldehyde
CID 24729817
5-(4-fluoro-2-methylphenyl)pyridine-3-carbaldehyde
CID 112694203
5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloropyrimidine-5-carbaldehyde
CID 103523979
5-(3-bromo-2,4-dimethoxyphenyl)-3-methyl-1H-pyridin-2-one
CID 103524193
4-bromo-3-methoxybenzonitrile;4-(5-formyl-3-pyridinyl)-3-methoxybenzonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
CID 158502662
5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 102755517
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
CID 96599344
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde (CID 103523707) is 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde is COc1ccc(-c2cncc(C=O)c2)c(OC)c1Br.
What is the InChIKey of 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is VEQFUFOSFFLNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-18-12-4-3-11(14(19-2)13(12)15)10-5-9(8-17)6-16-7-10/h3-8H,1-2H3.
What are the key properties of 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde?
5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 322.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2,4-dimethoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 103523707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).