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

C13H10Cl2N2O2 — CID 133087361

IUPAC2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESNc1ccc(-c2cc(Cl)cc(Cl)c2)c(CC(=O)O)n1
InChIInChI=1S/C13H10Cl2N2O2/c14-8-3-7(4-9(15)5-8)10-1-2-12(16)17-11(10)6-13(18)19/h1-5H,6H2,(H2,16,17)(H,18,19)
InChIKeyMIXHDXXULQYFRO-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.26
Rot. Bonds3

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

2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133087361) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID133087361
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESNc1ccc(-c2cc(Cl)cc(Cl)c2)c(CC(=O)O)n1
InChIInChI=1S/C13H10Cl2N2O2/c14-8-3-7(4-9(15)5-8)10-1-2-12(16)17-11(10)6-13(18)19/h1-5H,6H2,(H2,16,17)(H,18,19)
InChIKeyMIXHDXXULQYFRO-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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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid (CID 133087361) is 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid is Nc1ccc(-c2cc(Cl)cc(Cl)c2)c(CC(=O)O)n1.
What is the InChIKey of 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is MIXHDXXULQYFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-8-3-7(4-9(15)5-8)10-1-2-12(16)17-11(10)6-13(18)19/h1-5H,6H2,(H2,16,17)(H,18,19).
What are the key properties of 2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid?
2-[6-amino-3-(3,5-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-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133087361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).