5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde

C25H17Cl2N3O4 — CID 170696962

IUPAC5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(-c2cccc(-c3ccnc(-c4cnc(C=O)c(OC)c4)c3Cl)c2Cl)cnc1C=O
InChIInChI=1S/C25H17Cl2N3O4/c1-33-21-8-14(10-29-19(21)12-31)16-4-3-5-17(23(16)26)18-6-7-28-25(24(18)27)15-9-22(34-2)20(13-32)30-11-15/h3-13H,1-2H3
InChIKeySLLMNHZMDGFXGT-UHFFFAOYSA-N
MW494.33 g/mol
LogP5.82
Rot. Bonds7

About 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde

5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde (PubChem CID 170696962) has the molecular formula C25H17Cl2N3O4 and a molecular weight of 494.33 g/mol. Its IUPAC name is 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
PubChem CID170696962
Molecular FormulaC25H17Cl2N3O4
Molecular Weight494.33 g/mol
Exact Mass493.06
IUPAC Name5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(-c2cccc(-c3ccnc(-c4cnc(C=O)c(OC)c4)c3Cl)c2Cl)cnc1C=O
InChIInChI=1S/C25H17Cl2N3O4/c1-33-21-8-14(10-29-19(21)12-31)16-4-3-5-17(23(16)26)18-6-7-28-25(24(18)27)15-9-22(34-2)20(13-32)30-11-15/h3-13H,1-2H3
InChIKeySLLMNHZMDGFXGT-UHFFFAOYSA-N
XLogP5.82
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.33
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
CID 175513044
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde
CID 170983450
1-[4-[[4-[3-[2-[6-[[(1-acetylpiperidin-4-yl)amino]methyl]-5-methoxy-3-pyridinyl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 170983544
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 170696891
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
CID 175513110
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 175513036
tert-butyl N-[[5-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-3-methoxypyrazin-2-yl]methyl]carbamate
CID 175513075
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
(5R)-5-[[[6-[2-chloro-3-[3-chloro-2-[5-methoxy-6-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-3-pyridinyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 170696422
3-[4-[4-(3-amino-2-chlorophenyl)-3-chloro-2-pyridinyl]-2-methoxyphenyl]propan-1-ol
CID 171815619

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde?
The IUPAC name of 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde (CID 170696962) is 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde is COc1cc(-c2cccc(-c3ccnc(-c4cnc(C=O)c(OC)c4)c3Cl)c2Cl)cnc1C=O.
What is the InChIKey of 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde?
The InChIKey is SLLMNHZMDGFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O4/c1-33-21-8-14(10-29-19(21)12-31)16-4-3-5-17(23(16)26)18-6-7-28-25(24(18)27)15-9-22(34-2)20(13-32)30-11-15/h3-13H,1-2H3.
What are the key properties of 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde?
5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde has a molecular weight of 494.33 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 170696962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).