(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid

C10H13BrN2O3 — CID 87067233

IUPAC(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid
SMILESCOCCN(Cc1cccc(Br)n1)C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-16-6-5-13(10(14)15)7-8-3-2-4-9(11)12-8/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyNDRMNAFUWCAOLO-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.97
Rot. Bonds5

About (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid

(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid (PubChem CID 87067233) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid
PubChem CID87067233
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid
SMILESCOCCN(Cc1cccc(Br)n1)C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-16-6-5-13(10(14)15)7-8-3-2-4-9(11)12-8/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyNDRMNAFUWCAOLO-UHFFFAOYSA-N
XLogP1.97
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
CID 130604297
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
(6-bromo-2-pyridinyl)methyl-(4-fluorophenyl)carbamic acid
CID 87580144
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 79039990
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid?
The IUPAC name of (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid (CID 87067233) is (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid.
What is the SMILES notation for (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid?
The canonical SMILES for (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid is COCCN(Cc1cccc(Br)n1)C(=O)O.
What is the InChIKey of (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid?
The InChIKey is NDRMNAFUWCAOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-16-6-5-13(10(14)15)7-8-3-2-4-9(11)12-8/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid?
(6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid has a molecular weight of 289.13 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)methyl-(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 87067233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).