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

C26H17Cl2FN2O4 — CID 146198720

IUPAC6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cccc(-c3cc(F)cc(-c4ccc(C=O)c(OC)n4)c3Cl)c2Cl)ccc1C=O
InChIInChI=1S/C26H17Cl2FN2O4/c1-34-25-14(12-32)6-8-21(30-25)18-5-3-4-17(23(18)27)19-10-16(29)11-20(24(19)28)22-9-7-15(13-33)26(31-22)35-2/h3-13H,1-2H3
InChIKeyKUWREENGVOGKRA-UHFFFAOYSA-N
MW511.34 g/mol
LogP6.57
Rot. Bonds7

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

6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 146198720) has the molecular formula C26H17Cl2FN2O4 and a molecular weight of 511.34 g/mol. Its IUPAC name is 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID146198720
Molecular FormulaC26H17Cl2FN2O4
Molecular Weight511.34 g/mol
Exact Mass510.05
IUPAC Name6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cccc(-c3cc(F)cc(-c4ccc(C=O)c(OC)n4)c3Cl)c2Cl)ccc1C=O
InChIInChI=1S/C26H17Cl2FN2O4/c1-34-25-14(12-32)6-8-21(30-25)18-5-3-4-17(23(18)27)19-10-16(29)11-20(24(19)28)22-9-7-15(13-33)26(31-22)35-2/h3-13H,1-2H3
InChIKeyKUWREENGVOGKRA-UHFFFAOYSA-N
XLogP6.57
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.34
LogP ≤ 56.57
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

rac-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2H-pyrano[2,3-b]pyridin-4(3H)-one
CID 46890915
N-[(2S)-2-aminopropyl]-6-[3-[3-[5-[[(2S)-2-aminopropyl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
CID 146198729
N-(2-aminoethyl)-6-[3-[3-[5-(2-aminoethylcarbamoyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
CID 146206921
N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
CID 146206923
N-[(2R)-2-aminopropyl]-6-[3-[3-[5-[[(2R)-2-aminopropyl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
CID 146206924
N-[(2R)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2R)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
CID 146206931
[6-[3-[3-[5-(3-Aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone
CID 146207057
N-[(2S)-1-aminopropan-2-yl]-6-[3-[3-[5-[[(2S)-1-aminopropan-2-yl]carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
CID 146207058
6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorobenzyl)oxy]nicotinamide
CID 58961574
2-(2-Chlorophenoxy)-6-(2,3-difluorophenyl)nicotinaldehyde
CID 59584976
2-(2-Chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
CID 59584980
2-(2-Chlorophenoxy)-6-[4-chloro-3-(trifluoromethyl)phenyl]nicotinaldehyde
CID 59584992

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde (CID 146198720) is 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde is COc1nc(-c2cccc(-c3cc(F)cc(-c4ccc(C=O)c(OC)n4)c3Cl)c2Cl)ccc1C=O.
What is the InChIKey of 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is KUWREENGVOGKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2FN2O4/c1-34-25-14(12-32)6-8-21(30-25)18-5-3-4-17(23(18)27)19-10-16(29)11-20(24(19)28)22-9-7-15(13-33)26(31-22)35-2/h3-13H,1-2H3.
What are the key properties of 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde?
6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 511.34 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 146198720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).