3-bromo-N-ethoxypyridine-2-carboxamide

C8H9BrN2O2 — CID 107519636

IUPAC3-bromo-N-ethoxypyridine-2-carboxamide
SMILESCCONC(=O)c1ncccc1Br
InChIInChI=1S/C8H9BrN2O2/c1-2-13-11-8(12)7-6(9)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyRVRAEJFDGOJHNK-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.53
Rot. Bonds3

About 3-bromo-N-ethoxypyridine-2-carboxamide

3-bromo-N-ethoxypyridine-2-carboxamide (PubChem CID 107519636) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 3-bromo-N-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethoxypyridine-2-carboxamide
PubChem CID107519636
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name3-bromo-N-ethoxypyridine-2-carboxamide
SMILESCCONC(=O)c1ncccc1Br
InChIInChI=1S/C8H9BrN2O2/c1-2-13-11-8(12)7-6(9)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyRVRAEJFDGOJHNK-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 107518988
butyl 3-bromopyridine-2-carboxylate
CID 107519649
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethoxypyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-ethoxypyridine-2-carboxamide (CID 107519636) is 3-bromo-N-ethoxypyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethoxypyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethoxypyridine-2-carboxamide is CCONC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-ethoxypyridine-2-carboxamide?
The InChIKey is RVRAEJFDGOJHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-2-13-11-8(12)7-6(9)4-3-5-10-7/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 3-bromo-N-ethoxypyridine-2-carboxamide?
3-bromo-N-ethoxypyridine-2-carboxamide has a molecular weight of 245.08 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 107519636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).