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

C12H6Cl3NO2 — CID 134630401

IUPAC6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H6Cl3NO2/c13-7-5-9(15)8(14)4-6(7)10-2-1-3-11(16-10)12(17)18/h1-5H,(H,17,18)
InChIKeyNIJKVBKEXCNOQT-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.41
Rot. Bonds2

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

6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 134630401) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID134630401
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H6Cl3NO2/c13-7-5-9(15)8(14)4-6(7)10-2-1-3-11(16-10)12(17)18/h1-5H,(H,17,18)
InChIKeyNIJKVBKEXCNOQT-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
5-chloro-6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134629884
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
CID 11461037
[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134630403
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362
CID 91986542
CID 91986542
6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
CID 134630402
6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 22345553
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid (CID 134630401) is 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is NIJKVBKEXCNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-7-5-9(15)8(14)4-6(7)10-2-1-3-11(16-10)12(17)18/h1-5H,(H,17,18).
What are the key properties of 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid?
6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 302.54 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134630401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).