[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid

C9H11BrN2O3 — CID 166682169

IUPAC[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid
SMILESCOCC(NC(=O)O)c1cc(Br)ccn1
InChIInChI=1S/C9H11BrN2O3/c1-15-5-8(12-9(13)14)7-4-6(10)2-3-11-7/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyKARJWRMXOBZSRM-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.80
Rot. Bonds4

About [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid

[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid (PubChem CID 166682169) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid
PubChem CID166682169
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid
SMILESCOCC(NC(=O)O)c1cc(Br)ccn1
InChIInChI=1S/C9H11BrN2O3/c1-15-5-8(12-9(13)14)7-4-6(10)2-3-11-7/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyKARJWRMXOBZSRM-UHFFFAOYSA-N
XLogP1.80
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The IUPAC name of [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid (CID 166682169) is [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid.
What is the SMILES notation for [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The canonical SMILES for [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid is COCC(NC(=O)O)c1cc(Br)ccn1.
What is the InChIKey of [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The InChIKey is KARJWRMXOBZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-15-5-8(12-9(13)14)7-4-6(10)2-3-11-7/h2-4,8,12H,5H2,1H3,(H,13,14).
What are the key properties of [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid?
[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid has a molecular weight of 275.10 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid is sourced from PubChem (CID 166682169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).