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

C13H10Cl2N2O2 — CID 133087087

IUPAC2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)cnc1CC(=O)O
InChIInChI=1S/C13H10Cl2N2O2/c14-9-2-1-7(3-10(9)15)8-4-11(16)12(17-6-8)5-13(18)19/h1-4,6H,5,16H2,(H,18,19)
InChIKeyQSVHCJIIUHCTHA-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.26
Rot. Bonds3

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

2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133087087) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID133087087
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)cnc1CC(=O)O
InChIInChI=1S/C13H10Cl2N2O2/c14-9-2-1-7(3-10(9)15)8-4-11(16)12(17-6-8)5-13(18)19/h1-4,6H,5,16H2,(H,18,19)
InChIKeyQSVHCJIIUHCTHA-UHFFFAOYSA-N
XLogP3.26
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088475
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133092375
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998
[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
CID 119006015
3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
CID 115046366
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid (CID 133087087) is 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid is Nc1cc(-c2ccc(Cl)c(Cl)c2)cnc1CC(=O)O.
What is the InChIKey of 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is QSVHCJIIUHCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-9-2-1-7(3-10(9)15)8-4-11(16)12(17-6-8)5-13(18)19/h1-4,6H,5,16H2,(H,18,19).
What are the key properties of 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid?
2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 297.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133087087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).