N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide

C8H9BrClN3O — CID 130550689

IUPACN-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
SMILESNCCNC(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClN3O/c9-6-3-5(4-13-7(6)10)8(14)12-2-1-11/h3-4H,1-2,11H2,(H,12,14)
InChIKeyLHXJDOVZXLYXPT-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.19
Rot. Bonds3

About N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide

N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide (PubChem CID 130550689) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
PubChem CID130550689
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC NameN-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
SMILESNCCNC(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClN3O/c9-6-3-5(4-13-7(6)10)8(14)12-2-1-11/h3-4H,1-2,11H2,(H,12,14)
InChIKeyLHXJDOVZXLYXPT-UHFFFAOYSA-N
XLogP1.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide
CID 130550467
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-(2-aminoethyl)-3,5-dibromobenzamide
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N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
CID 131080965
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide (CID 130550689) is N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide is NCCNC(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide?
The InChIKey is LHXJDOVZXLYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c9-6-3-5(4-13-7(6)10)8(14)12-2-1-11/h3-4H,1-2,11H2,(H,12,14).
What are the key properties of N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide?
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide has a molecular weight of 278.54 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 130550689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).