6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde

C27H20FNO3 — CID 146206733

IUPAC6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C=O)cc4)c3C)c2F)ccc1C=O
InChIInChI=1S/C27H20FNO3/c1-17-21(19-11-9-18(15-30)10-12-19)5-3-6-22(17)23-7-4-8-24(26(23)28)25-14-13-20(16-31)27(29-25)32-2/h3-16H,1-2H3
InChIKeyNLDYDCRTYGJPOI-UHFFFAOYSA-N
MW425.46 g/mol
LogP6.16
Rot. Bonds6

About 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde

6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 146206733) has the molecular formula C27H20FNO3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID146206733
Molecular FormulaC27H20FNO3
Molecular Weight425.46 g/mol
Exact Mass425.14
IUPAC Name6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C=O)cc4)c3C)c2F)ccc1C=O
InChIInChI=1S/C27H20FNO3/c1-17-21(19-11-9-18(15-30)10-12-19)5-3-6-22(17)23-7-4-8-24(26(23)28)25-14-13-20(16-31)27(29-25)32-2/h3-16H,1-2H3
InChIKeyNLDYDCRTYGJPOI-UHFFFAOYSA-N
XLogP6.16
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde 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

2-Methoxyquinoline-3-carbaldehyde
CID 838868
Methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate
CID 166630691
2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
2-Methoxy-6-methylquinoline-3-carbaldehyde
CID 6484202
6-Methyl-2-phenoxy-quinoline-3-carbaldehyde
CID 54769593
3-(4-Methoxyphenyl)-1-methyl-benzo[g]isoquinoline-5,10-dione
CID 72374813
(2E)-7-fluoro-2-[(6-methoxy-2-pyridinyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 168285347
4-(6-Methoxy-2-pyridinyl)benzaldehyde
CID 3675823
2-Fluoro-3-formyl-6-(4-octyloxyphenyl)pyridine
CID 19046983
4-(4-Fluorophenyl)-6-isopropyl-2-methoxy-3-methoxymethyl-pyridine-5-carbaldehyde
CID 19936693
5-(1,1-Difluoroethyl)-6-methyl-2-phenylmethoxypyridine-3-carbaldehyde
CID 21690535
Ethyl 4-(4-fluorophenyl)-5-formyl-6-methoxy-2-propan-2-ylpyridine-3-carboxylate
CID 22004920

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde (CID 146206733) is 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde is COc1nc(-c2cccc(-c3cccc(-c4ccc(C=O)cc4)c3C)c2F)ccc1C=O.
What is the InChIKey of 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is NLDYDCRTYGJPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FNO3/c1-17-21(19-11-9-18(15-30)10-12-19)5-3-6-22(17)23-7-4-8-24(26(23)28)25-14-13-20(16-31)27(29-25)32-2/h3-16H,1-2H3.
What are the key properties of 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 425.46 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-3-[3-(4-formylphenyl)-2-methylphenyl]phenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 146206733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).