3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid

C8H8Cl2N2O2 — CID 175122080

IUPAC3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid
SMILESNc1nc(Cl)cc(Cl)c1CCC(=O)O
InChIInChI=1S/C8H8Cl2N2O2/c9-5-3-6(10)12-8(11)4(5)1-2-7(13)14/h3H,1-2H2,(H2,11,12)(H,13,14)
InChIKeyJHBPKNAHEQKGPQ-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.99
Rot. Bonds3

About 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid

3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid (PubChem CID 175122080) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid
PubChem CID175122080
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid
SMILESNc1nc(Cl)cc(Cl)c1CCC(=O)O
InChIInChI=1S/C8H8Cl2N2O2/c9-5-3-6(10)12-8(11)4(5)1-2-7(13)14/h3H,1-2H2,(H2,11,12)(H,13,14)
InChIKeyJHBPKNAHEQKGPQ-UHFFFAOYSA-N
XLogP1.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4,6-dichloro-3-pyridinyl)methyl formate
CID 174644042
3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519709
3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84667441
3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
CID 59946858
3-(6-chloropyrazin-2-yl)propanoic acid
CID 178201129
3-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84797137
3-(4-amino-6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
CID 84691280
3-(2-amino-4-hydroxynaphthalen-1-yl)propanoic acid
CID 70134664
2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
CID 174457480
3-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 127018913
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
CID 13042082

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid (CID 175122080) is 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid is Nc1nc(Cl)cc(Cl)c1CCC(=O)O.
What is the InChIKey of 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid?
The InChIKey is JHBPKNAHEQKGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-5-3-6(10)12-8(11)4(5)1-2-7(13)14/h3H,1-2H2,(H2,11,12)(H,13,14).
What are the key properties of 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid?
3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid has a molecular weight of 235.07 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,6-dichloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 175122080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).