N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide

C10H11BrN2O3 — CID 58351061

IUPACN-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide
SMILESCOc1nc(Br)ccc1N(C=O)CC(C)=O
InChIInChI=1S/C10H11BrN2O3/c1-7(15)5-13(6-14)8-3-4-9(11)12-10(8)16-2/h3-4,6H,5H2,1-2H3
InChIKeyNOGAAFSXFIEXQA-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.40
Rot. Bonds5

About N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide

N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide (PubChem CID 58351061) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide.

Molecular Properties

Compound NameN-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide
PubChem CID58351061
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC NameN-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide
SMILESCOc1nc(Br)ccc1N(C=O)CC(C)=O
InChIInChI=1S/C10H11BrN2O3/c1-7(15)5-13(6-14)8-3-4-9(11)12-10(8)16-2/h3-4,6H,5H2,1-2H3
InChIKeyNOGAAFSXFIEXQA-UHFFFAOYSA-N
XLogP1.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide?
The IUPAC name of N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide (CID 58351061) is N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide.
What is the SMILES notation for N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide?
The canonical SMILES for N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide is COc1nc(Br)ccc1N(C=O)CC(C)=O.
What is the InChIKey of N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide?
The InChIKey is NOGAAFSXFIEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-7(15)5-13(6-14)8-3-4-9(11)12-10(8)16-2/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide?
N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide has a molecular weight of 287.11 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide is sourced from PubChem (CID 58351061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).