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

C13H9Cl2NO3 — CID 133093077

IUPAC2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C13H9Cl2NO3/c14-8-1-2-9(10(15)4-8)7-3-12(17)11(16-6-7)5-13(18)19/h1-4,6,17H,5H2,(H,18,19)
InChIKeyACGCKLYKYIOROX-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.39
Rot. Bonds3

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

2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid (PubChem CID 133093077) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
PubChem CID133093077
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C13H9Cl2NO3/c14-8-1-2-9(10(15)4-8)7-3-12(17)11(16-6-7)5-13(18)19/h1-4,6,17H,5H2,(H,18,19)
InChIKeyACGCKLYKYIOROX-UHFFFAOYSA-N
XLogP3.39
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.39
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
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133092375
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid (CID 133093077) is 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2ccc(Cl)cc2Cl)cc1O.
What is the InChIKey of 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is ACGCKLYKYIOROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-8-1-2-9(10(15)4-8)7-3-12(17)11(16-6-7)5-13(18)19/h1-4,6,17H,5H2,(H,18,19).
What are the key properties of 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid?
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid has a molecular weight of 298.12 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 133093077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).