N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide

C13H7BrFN3O — CID 113245238

IUPACN-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C13H7BrFN3O/c14-10-5-9(2-3-11(10)15)18-13(19)12-4-1-8(6-16)7-17-12/h1-5,7H,(H,18,19)
InChIKeyORNOZZWXICWXJR-UHFFFAOYSA-N
MW320.12 g/mol
LogP3.11
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide

N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 113245238) has the molecular formula C13H7BrFN3O and a molecular weight of 320.12 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
PubChem CID113245238
Molecular FormulaC13H7BrFN3O
Molecular Weight320.12 g/mol
Exact Mass318.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C13H7BrFN3O/c14-10-5-9(2-3-11(10)15)18-13(19)12-4-1-8(6-16)7-17-12/h1-5,7H,(H,18,19)
InChIKeyORNOZZWXICWXJR-UHFFFAOYSA-N
XLogP3.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(3-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 104779033
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide (CID 113245238) is N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)nc1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is ORNOZZWXICWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O/c14-10-5-9(2-3-11(10)15)18-13(19)12-4-1-8(6-16)7-17-12/h1-5,7H,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 320.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 113245238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).