2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde

C20H14BrF2NO3 — CID 160595364

IUPAC2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(F)cc2C=O)cn1.O=Cc1cc(F)ccc1Br
InChIInChI=1S/C13H10FNO2.C7H4BrFO/c1-17-13-5-2-9(7-15-13)12-4-3-11(14)6-10(12)8-16;8-7-2-1-6(9)3-5(7)4-10/h2-8H,1H3;1-4H
InChIKeyRDODXQVRLOYMPB-UHFFFAOYSA-N
MW434.24 g/mol
LogP5.11
Rot. Bonds4

About 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde

2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde (PubChem CID 160595364) has the molecular formula C20H14BrF2NO3 and a molecular weight of 434.24 g/mol. Its IUPAC name is 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde
PubChem CID160595364
Molecular FormulaC20H14BrF2NO3
Molecular Weight434.24 g/mol
Exact Mass433.01
IUPAC Name2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(F)cc2C=O)cn1.O=Cc1cc(F)ccc1Br
InChIInChI=1S/C13H10FNO2.C7H4BrFO/c1-17-13-5-2-9(7-15-13)12-4-3-11(14)6-10(12)8-16;8-7-2-1-6(9)3-5(7)4-10/h2-8H,1H3;1-4H
InChIKeyRDODXQVRLOYMPB-UHFFFAOYSA-N
XLogP5.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.24
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 22633292
3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
CID 126763482
5-(6-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87480245
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 86674254
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
2-(2-bromophenyl)-5-fluorobenzaldehyde
CID 71600185
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
3-formyl-4-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 169095241
4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde?
The IUPAC name of 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde (CID 160595364) is 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde?
The canonical SMILES for 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde is COc1ccc(-c2ccc(F)cc2C=O)cn1.O=Cc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde?
The InChIKey is RDODXQVRLOYMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2.C7H4BrFO/c1-17-13-5-2-9(7-15-13)12-4-3-11(14)6-10(12)8-16;8-7-2-1-6(9)3-5(7)4-10/h2-8H,1H3;1-4H.
What are the key properties of 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde?
2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde has a molecular weight of 434.24 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 160595364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).