5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide

C11H14BrClN2O3 — CID 62001049

IUPAC5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
SMILESCOCCOCCNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O3/c1-17-4-5-18-3-2-14-11(16)9-6-8(12)7-15-10(9)13/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyYXWCYOAVDRDHII-UHFFFAOYSA-N
MW337.60 g/mol
LogP1.89
Rot. Bonds7

About 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 62001049) has the molecular formula C11H14BrClN2O3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
PubChem CID62001049
Molecular FormulaC11H14BrClN2O3
Molecular Weight337.60 g/mol
Exact Mass335.99
IUPAC Name5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
SMILESCOCCOCCNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O3/c1-17-4-5-18-3-2-14-11(16)9-6-8(12)7-15-10(9)13/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyYXWCYOAVDRDHII-UHFFFAOYSA-N
XLogP1.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide (CID 62001049) is 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide is COCCOCCNC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is YXWCYOAVDRDHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3/c1-17-4-5-18-3-2-14-11(16)9-6-8(12)7-15-10(9)13/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 337.60 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62001049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).