2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid

C7H6BrClN2O2 — CID 83902385

IUPAC2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1ccc(Br)c(Cl)n1
InChIInChI=1S/C7H6BrClN2O2/c8-3-1-2-4(11-6(3)9)5(10)7(12)13/h1-2,5H,10H2,(H,12,13)
InChIKeyPVGMIEMVQJCJBB-UHFFFAOYSA-N
MW265.49 g/mol
LogP1.58
Rot. Bonds2

About 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid

2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid (PubChem CID 83902385) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid
PubChem CID83902385
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Name2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1ccc(Br)c(Cl)n1
InChIInChI=1S/C7H6BrClN2O2/c8-3-1-2-4(11-6(3)9)5(10)7(12)13/h1-2,5H,10H2,(H,12,13)
InChIKeyPVGMIEMVQJCJBB-UHFFFAOYSA-N
XLogP1.58
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 51.58
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-2-(2-chloropyrimidin-4-yl)acetic acid
CID 134264029
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
2-amino-2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113423016
2-amino-2-[2-(3-bromo-4-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104528017
2-amino-2-[2-(2,6-dibromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107604300
1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone
CID 130132409
2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527137
(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
CID 130627537
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid (CID 83902385) is 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid is NC(C(=O)O)c1ccc(Br)c(Cl)n1.
What is the InChIKey of 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid?
The InChIKey is PVGMIEMVQJCJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c8-3-1-2-4(11-6(3)9)5(10)7(12)13/h1-2,5H,10H2,(H,12,13).
What are the key properties of 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid?
2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid has a molecular weight of 265.49 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid is sourced from PubChem (CID 83902385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).