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

C13H8BrN3O — CID 82708795

IUPACN-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C13H8BrN3O/c14-11-3-4-12(10(6-11)7-15)17-13(18)9-2-1-5-16-8-9/h1-6,8H,(H,17,18)
InChIKeyDBMSWQSLBVRCIA-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

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

N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide (PubChem CID 82708795) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
PubChem CID82708795
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC NameN-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C13H8BrN3O/c14-11-3-4-12(10(6-11)7-15)17-13(18)9-2-1-5-16-8-9/h1-6,8H,(H,17,18)
InChIKeyDBMSWQSLBVRCIA-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-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
(4-bromo-2-cyanophenyl)urea
CID 82708837
5-bromo-2-(pyridin-3-ylmethylamino)benzonitrile
CID 78994250
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide (CID 82708795) is N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide is N#Cc1cc(Br)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is DBMSWQSLBVRCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-3-4-12(10(6-11)7-15)17-13(18)9-2-1-5-16-8-9/h1-6,8H,(H,17,18).
What are the key properties of N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide?
N-(4-bromo-2-cyanophenyl)pyridine-3-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-2-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 82708795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).