5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide

C14H12BrN3O3 — CID 62954085

IUPAC5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1
InChIInChI=1S/C14H12BrN3O3/c15-11-3-6-13(17-9-11)14(19)16-8-7-10-1-4-12(5-2-10)18(20)21/h1-6,9H,7-8H2,(H,16,19)
InChIKeyDIGZKHOXALIZBP-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.72
Rot. Bonds5

About 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide

5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 62954085) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide
PubChem CID62954085
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1
InChIInChI=1S/C14H12BrN3O3/c15-11-3-6-13(17-9-11)14(19)16-8-7-10-1-4-12(5-2-10)18(20)21/h1-6,9H,7-8H2,(H,16,19)
InChIKeyDIGZKHOXALIZBP-UHFFFAOYSA-N
XLogP2.72
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-N-propylpyridine-2-carboxamide
CID 21405282
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
5-nitro-N-pent-4-ynylpyridine-2-carboxamide
CID 162753441
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 154857316
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 23404169
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 9403278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide (CID 62954085) is 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is DIGZKHOXALIZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-11-3-6-13(17-9-11)14(19)16-8-7-10-1-4-12(5-2-10)18(20)21/h1-6,9H,7-8H2,(H,16,19).
What are the key properties of 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide?
5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 350.17 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).