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

C8H8Cl2N2O2 — CID 130041515

IUPAC2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
SMILESNC(Cc1cnc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C8H8Cl2N2O2/c9-5-2-7(10)12-3-4(5)1-6(11)8(13)14/h2-3,6H,1,11H2,(H,13,14)
InChIKeyBDPSFPTZHXLYDC-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.34
Rot. Bonds3

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

2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid (PubChem CID 130041515) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
PubChem CID130041515
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
SMILESNC(Cc1cnc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C8H8Cl2N2O2/c9-5-2-7(10)12-3-4(5)1-6(11)8(13)14/h2-3,6H,1,11H2,(H,13,14)
InChIKeyBDPSFPTZHXLYDC-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-[(4,6-dichloro-3-pyridinyl)methyl]-3-ethoxy-3-oxopropanoic acid
CID 116519906
2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519749
diethyl 2-[(4,6-dichloro-3-pyridinyl)methyl]propanedioate
CID 116519757
(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
CID 130749995
3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519709
2-amino-3-(2,3,4,5-tetrachlorophenyl)propanoic acid
CID 86089013
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
3-[2-(2-amino-2-carboxyethyl)-4,5-dichlorophenyl]-2-methylpropanoic acid
CID 18956366

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid (CID 130041515) is 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid is NC(Cc1cnc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
The InChIKey is BDPSFPTZHXLYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-5-2-7(10)12-3-4(5)1-6(11)8(13)14/h2-3,6H,1,11H2,(H,13,14).
What are the key properties of 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid has a molecular weight of 235.07 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 130041515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).