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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Related Compounds

3-(3,5-Dichlorophenyl)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 118721338
6-Amino-3-(3-chloro-5-fluorophenyl)picolinic acid
CID 53229415
6-Amino-3-(3-chloro-4-fluorophenyl)picolinic acid
CID 53229419
6-Amino-5-(3-chloro-4-fluorophenyl)pyridine-2-carboxylic acid
CID 82556219
2-[2-(3,5-Dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118825038
2-[6-(2,6-Dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid
CID 118830681
2-[6-(3,5-Dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid
CID 118830890
2-(6-Amino-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-yl)acetic acid
CID 118993183
2-(6-Amino-5-chloro-4-(difluoromethyl)pyridin-2-yl)acetic acid
CID 118995994
2-[6-Amino-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 119001576
2-[6-Amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
CID 119005063
2-(6-Amino-5-chloro-3-(difluoromethyl)pyridin-2-yl)acetic acid
CID 119006462

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).