methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate

C19H12Cl3NO2 — CID 10126602

IUPACmethyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H12Cl3NO2/c1-25-19(24)17-9-8-14(11-2-4-12(20)5-3-11)18(23-17)15-7-6-13(21)10-16(15)22/h2-10H,1H3
InChIKeyKVXDVYLPPQXAHE-UHFFFAOYSA-N
MW392.67 g/mol
LogP6.16
Rot. Bonds3

About methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate

methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate (PubChem CID 10126602) has the molecular formula C19H12Cl3NO2 and a molecular weight of 392.67 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
PubChem CID10126602
Molecular FormulaC19H12Cl3NO2
Molecular Weight392.67 g/mol
Exact Mass390.99
IUPAC Namemethyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H12Cl3NO2/c1-25-19(24)17-9-8-14(11-2-4-12(20)5-3-11)18(23-17)15-7-6-13(21)10-16(15)22/h2-10H,1H3
InChIKeyKVXDVYLPPQXAHE-UHFFFAOYSA-N
XLogP6.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethylpyrano[2,3-b]pyridine-4-carboxylate
CID 59785891
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
methyl 1-(4-chlorophenyl)isoquinoline-3-carboxylate
CID 131843858
methyl 5-bromo-6-(4-chlorophenyl)pyrazine-2-carboxylate
CID 86619571
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate (CID 10126602) is methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
The InChIKey is KVXDVYLPPQXAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3NO2/c1-25-19(24)17-9-8-14(11-2-4-12(20)5-3-11)18(23-17)15-7-6-13(21)10-16(15)22/h2-10H,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate has a molecular weight of 392.67 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 10126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).