5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid

C28H23Cl2NO5 — CID 68887736

IUPAC5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(Cl)c(-c2ccc(C(=O)O)nc2-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)c1
InChIInChI=1S/C28H23Cl2NO5/c1-3-35-20-9-12-23(29)22(15-20)21-10-13-25(28(32)33)31-27(21)18-6-11-24(30)26(14-18)36-16-17-4-7-19(34-2)8-5-17/h4-15H,3,16H2,1-2H3,(H,32,33)
InChIKeyXFFKTEURGDUESY-UHFFFAOYSA-N
MW524.40 g/mol
LogP7.41
Rot. Bonds9

About 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid

5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid (PubChem CID 68887736) has the molecular formula C28H23Cl2NO5 and a molecular weight of 524.40 g/mol. Its IUPAC name is 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid
PubChem CID68887736
Molecular FormulaC28H23Cl2NO5
Molecular Weight524.40 g/mol
Exact Mass523.10
IUPAC Name5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(Cl)c(-c2ccc(C(=O)O)nc2-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)c1
InChIInChI=1S/C28H23Cl2NO5/c1-3-35-20-9-12-23(29)22(15-20)21-10-13-25(28(32)33)31-27(21)18-6-11-24(30)26(14-18)36-16-17-4-7-19(34-2)8-5-17/h4-15H,3,16H2,1-2H3,(H,32,33)
InChIKeyXFFKTEURGDUESY-UHFFFAOYSA-N
XLogP7.41
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.40
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 66869646
6-(4-chloro-3-phenylmethoxyphenyl)-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylic acid
CID 87613481
6-[4-chloro-3-[3-(diethylamino)propoxy]phenyl]-5-(2-methylphenyl)pyridine-2-carboxylic acid
CID 66720986
3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
CID 53228156
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid
CID 22052474
2-[4-[(2-bromo-4-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 22687808
[1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]-5-(3,5-diethylpyrazol-1-yl)pyridine-2-carbonyl]amino]cyclohexanecarbonyl] 1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]-5-(2-chloro-5-ethoxyphenyl)pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate;dihydrochloride
CID 87613523
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
methyl (3S)-3-[[5-[5-(aminomethyl)-2-chlorophenyl]-6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 175267126

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid (CID 68887736) is 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid is CCOc1ccc(Cl)c(-c2ccc(C(=O)O)nc2-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)c1.
What is the InChIKey of 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid?
The InChIKey is XFFKTEURGDUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2NO5/c1-3-35-20-9-12-23(29)22(15-20)21-10-13-25(28(32)33)31-27(21)18-6-11-24(30)26(14-18)36-16-17-4-7-19(34-2)8-5-17/h4-15H,3,16H2,1-2H3,(H,32,33).
What are the key properties of 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid?
5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid has a molecular weight of 524.40 g/mol, XLogP of 7.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68887736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).