3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid

C12H6Cl3NO3 — CID 133092347

IUPAC3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1O
InChIInChI=1S/C12H6Cl3NO3/c13-6-2-7(14)10(8(15)3-6)5-1-9(17)11(12(18)19)16-4-5/h1-4,17H,(H,18,19)
InChIKeyPEIHLECKUAKEQF-UHFFFAOYSA-N
MW318.54 g/mol
LogP4.11
Rot. Bonds2

About 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid

3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 133092347) has the molecular formula C12H6Cl3NO3 and a molecular weight of 318.54 g/mol. Its IUPAC name is 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID133092347
Molecular FormulaC12H6Cl3NO3
Molecular Weight318.54 g/mol
Exact Mass316.94
IUPAC Name3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1O
InChIInChI=1S/C12H6Cl3NO3/c13-6-2-7(14)10(8(15)3-6)5-1-9(17)11(12(18)19)16-4-5/h1-4,17H,(H,18,19)
InChIKeyPEIHLECKUAKEQF-UHFFFAOYSA-N
XLogP4.11
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dichlorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 133093044
3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid
CID 133091355
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
CID 67212196
methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636546
5-bromo-3-hydroxypyridine-2-carboxylic acid
CID 46315212
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218
2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118830549
3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
CID 115046366
3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090636
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637848

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid (CID 133092347) is 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid is O=C(O)c1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1O.
What is the InChIKey of 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is PEIHLECKUAKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO3/c13-6-2-7(14)10(8(15)3-6)5-1-9(17)11(12(18)19)16-4-5/h1-4,17H,(H,18,19).
What are the key properties of 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 318.54 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133092347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).