3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid

C9H11BrN2O2 — CID 84709726

IUPAC3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(Br)cnc1N)C(=O)O
InChIInChI=1S/C9H11BrN2O2/c1-5(9(13)14)2-6-3-7(10)4-12-8(6)11/h3-5H,2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyLVZVKIRZAIMZTP-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.69
Rot. Bonds3

About 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid

3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid (PubChem CID 84709726) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid
PubChem CID84709726
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(Br)cnc1N)C(=O)O
InChIInChI=1S/C9H11BrN2O2/c1-5(9(13)14)2-6-3-7(10)4-12-8(6)11/h3-5H,2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyLVZVKIRZAIMZTP-UHFFFAOYSA-N
XLogP1.69
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
3-(5-bromo-2-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117467082
5-bromo-3-(methoxymethyl)pyridin-2-amine
CID 84682381
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
2-[N-[(2-amino-5-bromo-3-pyridinyl)methyl]anilino]acetic acid
CID 123270063
3-(5-bromo-2-cyclopropyloxyphenyl)-2-methylpropanoic acid
CID 117481881
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylimino]propanoate
CID 143612144
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid
CID 155230760
3-(2-bromo-4-methylphenyl)-2-methylpropanoic acid
CID 83731619

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid (CID 84709726) is 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid is CC(Cc1cc(Br)cnc1N)C(=O)O.
What is the InChIKey of 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid?
The InChIKey is LVZVKIRZAIMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5(9(13)14)2-6-3-7(10)4-12-8(6)11/h3-5H,2H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid?
3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid has a molecular weight of 259.10 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 84709726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).