4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid

C14H8BrN3O3 — CID 107800302

IUPAC4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H8BrN3O3/c15-10-2-1-9(7-16)11(6-10)18-13(19)8-3-4-17-12(5-8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJNPXQDATHXJHRK-UHFFFAOYSA-N
MW346.14 g/mol
LogP2.67
Rot. Bonds3

About 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid

4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 107800302) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID107800302
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H8BrN3O3/c15-10-2-1-9(7-16)11(6-10)18-13(19)8-3-4-17-12(5-8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJNPXQDATHXJHRK-UHFFFAOYSA-N
XLogP2.67
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470730
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
CID 115115806
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
CID 104880206
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 107800302) is 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid is N#Cc1ccc(Br)cc1NC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JNPXQDATHXJHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/c15-10-2-1-9(7-16)11(6-10)18-13(19)8-3-4-17-12(5-8)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 346.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107800302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).