2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid

C13H9Cl3N2O2 — CID 134636998

IUPAC2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESNc1cnc(-c2c(Cl)ccc(Cl)c2Cl)cc1CC(=O)O
InChIInChI=1S/C13H9Cl3N2O2/c14-7-1-2-8(15)13(16)12(7)10-3-6(4-11(19)20)9(17)5-18-10/h1-3,5H,4,17H2,(H,19,20)
InChIKeyASJCKDCSUYUQTE-UHFFFAOYSA-N
MW331.59 g/mol
LogP3.92
Rot. Bonds3

About 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid

2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 134636998) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID134636998
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESNc1cnc(-c2c(Cl)ccc(Cl)c2Cl)cc1CC(=O)O
InChIInChI=1S/C13H9Cl3N2O2/c14-7-1-2-8(15)13(16)12(7)10-3-6(4-11(19)20)9(17)5-18-10/h1-3,5H,4,17H2,(H,19,20)
InChIKeyASJCKDCSUYUQTE-UHFFFAOYSA-N
XLogP3.92
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087087
2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088475
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637597
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
CID 133088005
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-[6-(2,3-dichlorophenyl)-3-pyridinyl]acetic acid
CID 118825001

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid (CID 134636998) is 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid is Nc1cnc(-c2c(Cl)ccc(Cl)c2Cl)cc1CC(=O)O.
What is the InChIKey of 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is ASJCKDCSUYUQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c14-7-1-2-8(15)13(16)12(7)10-3-6(4-11(19)20)9(17)5-18-10/h1-3,5H,4,17H2,(H,19,20).
What are the key properties of 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid has a molecular weight of 331.59 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).