2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid

C10H11BrN2O4 — CID 79734408

IUPAC2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
SMILESCc1cc(NC(=O)COCC(=O)O)ncc1Br
InChIInChI=1S/C10H11BrN2O4/c1-6-2-8(12-3-7(6)11)13-9(14)4-17-5-10(15)16/h2-3H,4-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyORWDQRHKTYYZFW-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 79734408) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
PubChem CID79734408
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
SMILESCc1cc(NC(=O)COCC(=O)O)ncc1Br
InChIInChI=1S/C10H11BrN2O4/c1-6-2-8(12-3-7(6)11)13-9(14)4-17-5-10(15)16/h2-3H,4-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyORWDQRHKTYYZFW-UHFFFAOYSA-N
XLogP1.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103738091
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
1-(5-bromo-4-methyl-2-pyridinyl)-3-(2-chloroethyl)urea
CID 121473135
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
2-(1-aminocyclopentyl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734126
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid (CID 79734408) is 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid is Cc1cc(NC(=O)COCC(=O)O)ncc1Br.
What is the InChIKey of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is ORWDQRHKTYYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-6-2-8(12-3-7(6)11)13-9(14)4-17-5-10(15)16/h2-3H,4-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 303.11 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79734408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).