N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide

C13H6BrF2N3O — CID 107470730

IUPACN-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H6BrF2N3O/c14-8-2-1-7(6-17)10(5-8)19-13(20)9-3-4-18-12(16)11(9)15/h1-5H,(H,19,20)
InChIKeyMPTGVVBPJOILCR-UHFFFAOYSA-N
MW338.11 g/mol
LogP3.25
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide

N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 107470730) has the molecular formula C13H6BrF2N3O and a molecular weight of 338.11 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID107470730
Molecular FormulaC13H6BrF2N3O
Molecular Weight338.11 g/mol
Exact Mass336.97
IUPAC NameN-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H6BrF2N3O/c14-8-2-1-7(6-17)10(5-8)19-13(20)9-3-4-18-12(16)11(9)15/h1-5H,(H,19,20)
InChIKeyMPTGVVBPJOILCR-UHFFFAOYSA-N
XLogP3.25
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386639
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide (CID 107470730) is N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide is N#Cc1ccc(Br)cc1NC(=O)c1ccnc(F)c1F.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is MPTGVVBPJOILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF2N3O/c14-8-2-1-7(6-17)10(5-8)19-13(20)9-3-4-18-12(16)11(9)15/h1-5H,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide?
N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 338.11 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 107470730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).