6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde

C26H18ClFN2O4 — CID 170983450

IUPAC6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3F)c2Cl)ccc1C=O
InChIInChI=1S/C26H18ClFN2O4/c1-33-22-12-15(6-7-16(22)13-31)25-23(27)18(10-11-29-25)19-4-3-5-20(24(19)28)21-9-8-17(14-32)26(30-21)34-2/h3-14H,1-2H3
InChIKeyQPGXKSJDAAZIRS-UHFFFAOYSA-N
MW476.89 g/mol
LogP5.91
Rot. Bonds7

About 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde

6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 170983450) has the molecular formula C26H18ClFN2O4 and a molecular weight of 476.89 g/mol. Its IUPAC name is 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID170983450
Molecular FormulaC26H18ClFN2O4
Molecular Weight476.89 g/mol
Exact Mass476.09
IUPAC Name6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3F)c2Cl)ccc1C=O
InChIInChI=1S/C26H18ClFN2O4/c1-33-22-12-15(6-7-16(22)13-31)25-23(27)18(10-11-29-25)19-4-3-5-20(24(19)28)21-9-8-17(14-32)26(30-21)34-2/h3-14H,1-2H3
InChIKeyQPGXKSJDAAZIRS-UHFFFAOYSA-N
XLogP5.91
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
CID 175513044
6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
CID 175513100
[4-[3-chloro-4-[2-chloro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-(oxan-4-yl)carbamic acid
CID 174187436
[6-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-(oxan-4-yl)carbamic acid
CID 174187815
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
[6-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 174187290
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
6-[2-chloro-3-[2-chloro-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxyphenyl]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 146207087
3-chloro-4-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methoxyphenyl]pyridine
CID 170696320
6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 164566277
6-[2-chloro-3-[3-chloro-2-[1,1-dioxo-4-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3,5-dihydro-2H-1λ6,4-benzothiazepin-8-yl]-4-pyridinyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 170983448

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde (CID 170983450) is 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde is COc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3F)c2Cl)ccc1C=O.
What is the InChIKey of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is QPGXKSJDAAZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN2O4/c1-33-22-12-15(6-7-16(22)13-31)25-23(27)18(10-11-29-25)19-4-3-5-20(24(19)28)21-9-8-17(14-32)26(30-21)34-2/h3-14H,1-2H3.
What are the key properties of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde?
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 476.89 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 170983450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).