ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate

C10H11BrN2O3 — CID 122609586

IUPACethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CNC=O)ccc1Br
InChIInChI=1S/C10H11BrN2O3/c1-2-16-10(15)9-8(11)4-3-7(13-9)5-12-6-14/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKeyKRIPJYBTEZAWPV-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.27
Rot. Bonds5

About ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate

ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate (PubChem CID 122609586) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate
PubChem CID122609586
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Nameethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CNC=O)ccc1Br
InChIInChI=1S/C10H11BrN2O3/c1-2-16-10(15)9-8(11)4-3-7(13-9)5-12-6-14/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKeyKRIPJYBTEZAWPV-UHFFFAOYSA-N
XLogP1.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 3-bromo-6-(pent-3-ynylamino)pyridine-2-carboxylate
CID 155593753
ethyl 3-bromo-6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylate
CID 126820971
2-methylpropyl 3-bromo-6-fluoropyridine-2-carboxylate
CID 167520654
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
CID 71425005
ethyl 3-acetamido-6-bromopyridine-2-carboxylate
CID 90044467
ethyl 2-bromo-5-formyl-1H-imidazole-4-carboxylate
CID 89231558
ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 6-bromo-3-ethylquinoline-2-carboxylate
CID 11551308

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate (CID 122609586) is ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(CNC=O)ccc1Br.
What is the InChIKey of ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate?
The InChIKey is KRIPJYBTEZAWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-2-16-10(15)9-8(11)4-3-7(13-9)5-12-6-14/h3-4,6H,2,5H2,1H3,(H,12,14).
What are the key properties of ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate?
ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate has a molecular weight of 287.11 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 122609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).