6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid

C19H12BrCl2NO2 — CID 69070859

IUPAC6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C19H12BrCl2NO2/c1-10-15(19(24)25)9-16(14-7-6-13(21)8-17(14)22)18(23-10)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,24,25)
InChIKeySTPLHOYKVPKWOC-UHFFFAOYSA-N
MW437.12 g/mol
LogP6.49
Rot. Bonds3

About 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid

6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 69070859) has the molecular formula C19H12BrCl2NO2 and a molecular weight of 437.12 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid
PubChem CID69070859
Molecular FormulaC19H12BrCl2NO2
Molecular Weight437.12 g/mol
Exact Mass434.94
IUPAC Name6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C19H12BrCl2NO2/c1-10-15(19(24)25)9-16(14-7-6-13(21)8-17(14)22)18(23-10)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,24,25)
InChIKeySTPLHOYKVPKWOC-UHFFFAOYSA-N
XLogP6.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.12
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid (CID 69070859) is 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid is Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is STPLHOYKVPKWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2NO2/c1-10-15(19(24)25)9-16(14-7-6-13(21)8-17(14)22)18(23-10)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,24,25).
What are the key properties of 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid?
6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 437.12 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 69070859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).