6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide

C13H6BrF3N4O2 — CID 170720062

IUPAC6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide
SMILESN#Cc1cnc(NC(=O)c2cccc(Br)n2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H6BrF3N4O2/c14-10-3-1-2-8(20-10)12(22)21-11-9(23-13(15,16)17)4-7(5-18)6-19-11/h1-4,6H,(H,19,21,22)
InChIKeyFGXGNBVMCMGXTG-UHFFFAOYSA-N
MW387.12 g/mol
LogP3.26
Rot. Bonds3

About 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide

6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 170720062) has the molecular formula C13H6BrF3N4O2 and a molecular weight of 387.12 g/mol. Its IUPAC name is 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID170720062
Molecular FormulaC13H6BrF3N4O2
Molecular Weight387.12 g/mol
Exact Mass385.96
IUPAC Name6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide
SMILESN#Cc1cnc(NC(=O)c2cccc(Br)n2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H6BrF3N4O2/c14-10-3-1-2-8(20-10)12(22)21-11-9(23-13(15,16)17)4-7(5-18)6-19-11/h1-4,6H,(H,19,21,22)
InChIKeyFGXGNBVMCMGXTG-UHFFFAOYSA-N
XLogP3.26
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[5-(N'-hydroxycarbamimidoyl)-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 174162185
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 103889775
6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
CID 170719912
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
6-bromo-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 103890083
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091817
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide (CID 170720062) is 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide is N#Cc1cnc(NC(=O)c2cccc(Br)n2)c(OC(F)(F)F)c1.
What is the InChIKey of 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is FGXGNBVMCMGXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N4O2/c14-10-3-1-2-8(20-10)12(22)21-11-9(23-13(15,16)17)4-7(5-18)6-19-11/h1-4,6H,(H,19,21,22).
What are the key properties of 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide?
6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 387.12 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 170720062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).