2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid

C9H9BrN2O4 — CID 155287372

IUPAC2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid
SMILESCOc1cc(Br)cnc1C(=O)NCC(=O)O
InChIInChI=1S/C9H9BrN2O4/c1-16-6-2-5(10)3-11-8(6)9(15)12-4-7(13)14/h2-3H,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyBVTJWZZYRQCPHD-UHFFFAOYSA-N
MW289.09 g/mol
LogP0.67
Rot. Bonds4

About 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid

2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid (PubChem CID 155287372) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid
PubChem CID155287372
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC Name2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid
SMILESCOc1cc(Br)cnc1C(=O)NCC(=O)O
InChIInChI=1S/C9H9BrN2O4/c1-16-6-2-5(10)3-11-8(6)9(15)12-4-7(13)14/h2-3H,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyBVTJWZZYRQCPHD-UHFFFAOYSA-N
XLogP0.67
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid
CID 151435518
2-[[3-methoxy-5-(3-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 171514158
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 90298931
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
N-(5-bromo-3-methoxy-2-pyridinyl)-2-[dimethylamino(methyl)phosphoryl]oxyacetamide
CID 21493327
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
5-bromo-2-(bromomethyl)-3-methoxypyridine
CID 130777672
5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
CID 146675190

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid (CID 155287372) is 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid is COc1cc(Br)cnc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid?
The InChIKey is BVTJWZZYRQCPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c1-16-6-2-5(10)3-11-8(6)9(15)12-4-7(13)14/h2-3H,4H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid?
2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid has a molecular weight of 289.09 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 155287372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).