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

C14H10BrN3O2 — CID 62958811

IUPAC5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
SMILESN#CCOc1ccccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H10BrN3O2/c15-10-5-6-12(17-9-10)14(19)18-11-3-1-2-4-13(11)20-8-7-16/h1-6,9H,8H2,(H,18,19)
InChIKeyLKQDXRRHYCMLAM-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.00
Rot. Bonds4

About 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide

5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 62958811) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
PubChem CID62958811
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
SMILESN#CCOc1ccccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H10BrN3O2/c15-10-5-6-12(17-9-10)14(19)18-11-3-1-2-4-13(11)20-8-7-16/h1-6,9H,8H2,(H,18,19)
InChIKeyLKQDXRRHYCMLAM-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

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Related Compounds

5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
CID 65215145
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
CID 63832381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide (CID 62958811) is 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide is N#CCOc1ccccc1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is LKQDXRRHYCMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-10-5-6-12(17-9-10)14(19)18-11-3-1-2-4-13(11)20-8-7-16/h1-6,9H,8H2,(H,18,19).
What are the key properties of 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-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 5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62958811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).