2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide

C14H10BrN3O2 — CID 103754604

IUPAC2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C14H10BrN3O2/c15-13-8-10(4-6-17-13)14(19)18-11-2-1-3-12(9-11)20-7-5-16/h1-4,6,8-9H,7H2,(H,18,19)
InChIKeyWDYJUQGFUUEURM-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.00
Rot. Bonds4

About 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide

2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 103754604) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
PubChem CID103754604
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C14H10BrN3O2/c15-13-8-10(4-6-17-13)14(19)18-11-2-1-3-12(9-11)20-7-5-16/h1-4,6,8-9H,7H2,(H,18,19)
InChIKeyWDYJUQGFUUEURM-UHFFFAOYSA-N
XLogP3.00
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
[3-(cyanomethoxy)phenyl]urea
CID 43369607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide (CID 103754604) is 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide is N#CCOc1cccc(NC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is WDYJUQGFUUEURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-13-8-10(4-6-17-13)14(19)18-11-2-1-3-12(9-11)20-7-5-16/h1-4,6,8-9H,7H2,(H,18,19).
What are the key properties of 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide?
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).