2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid

C13H8Cl3NO3 — CID 133092375

IUPAC2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C13H8Cl3NO3/c14-8-1-6(2-9(15)13(8)16)7-3-11(18)10(17-5-7)4-12(19)20/h1-3,5,18H,4H2,(H,19,20)
InChIKeyZXXXSHOIVYGDCA-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.04
Rot. Bonds3

About 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid

2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133092375) has the molecular formula C13H8Cl3NO3 and a molecular weight of 332.57 g/mol. Its IUPAC name is 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID133092375
Molecular FormulaC13H8Cl3NO3
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C13H8Cl3NO3/c14-8-1-6(2-9(15)13(8)16)7-3-11(18)10(17-5-7)4-12(19)20/h1-3,5,18H,4H2,(H,19,20)
InChIKeyZXXXSHOIVYGDCA-UHFFFAOYSA-N
XLogP4.04
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087087
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-[6-amino-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 119006668
2-[5-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2-(5-chloro-3-hydroxy-2-pyridinyl)acetamide
CID 133058864
2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
CID 165067563
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
CID 145160330
CID 145160330
2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134636083
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid (CID 133092375) is 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1O.
What is the InChIKey of 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is ZXXXSHOIVYGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3/c14-8-1-6(2-9(15)13(8)16)7-3-11(18)10(17-5-7)4-12(19)20/h1-3,5,18H,4H2,(H,19,20).
What are the key properties of 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 332.57 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133092375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).