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

C13H10Cl2N2O2 — CID 133087191

IUPAC2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESNc1c(CC(=O)O)ccnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-8-1-2-9(10(15)6-8)13-12(16)7(3-4-17-13)5-11(18)19/h1-4,6H,5,16H2,(H,18,19)
InChIKeyJKIJINVHISJSRW-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.26
Rot. Bonds3

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

2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 133087191) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID133087191
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESNc1c(CC(=O)O)ccnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-8-1-2-9(10(15)6-8)13-12(16)7(3-4-17-13)5-11(18)19/h1-4,6H,5,16H2,(H,18,19)
InChIKeyJKIJINVHISJSRW-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-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802456
2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201086
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569
2-[2-(2,4,6-trichlorophenyl)-3-pyridinyl]acetic acid
CID 118807954

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid (CID 133087191) is 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid is Nc1c(CC(=O)O)ccnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is JKIJINVHISJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-8-1-2-9(10(15)6-8)13-12(16)7(3-4-17-13)5-11(18)19/h1-4,6H,5,16H2,(H,18,19).
What are the key properties of 2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
2-[3-amino-2-(2,4-dichlorophenyl)-4-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-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).