N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide

C13H8BrN3O — CID 122187792

IUPACN-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccccn2)ccc1Br
InChIInChI=1S/C13H8BrN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
InChIKeyIWENPVLCRBESMO-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide

N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 122187792) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide
PubChem CID122187792
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC NameN-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccccn2)ccc1Br
InChIInChI=1S/C13H8BrN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
InChIKeyIWENPVLCRBESMO-UHFFFAOYSA-N
XLogP2.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 141478642
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide (CID 122187792) is N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide is N#Cc1cc(NC(=O)c2ccccn2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is IWENPVLCRBESMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18).
What are the key properties of N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide?
N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 302.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122187792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).