5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide

C15H9BrClN3O — CID 17016569

IUPAC5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccnc2ccc(Cl)cc12)c1cncc(Br)c1
InChIInChI=1S/C15H9BrClN3O/c16-10-5-9(7-18-8-10)15(21)20-14-3-4-19-13-2-1-11(17)6-12(13)14/h1-8H,(H,19,20,21)
InChIKeyMZCOMMWIUGVKGW-UHFFFAOYSA-N
MW362.61 g/mol
LogP4.30
Rot. Bonds2

About 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide

5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide (PubChem CID 17016569) has the molecular formula C15H9BrClN3O and a molecular weight of 362.61 g/mol. Its IUPAC name is 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide
PubChem CID17016569
Molecular FormulaC15H9BrClN3O
Molecular Weight362.61 g/mol
Exact Mass360.96
IUPAC Name5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccnc2ccc(Cl)cc12)c1cncc(Br)c1
InChIInChI=1S/C15H9BrClN3O/c16-10-5-9(7-18-8-10)15(21)20-14-3-4-19-13-2-1-11(17)6-12(13)14/h1-8H,(H,19,20,21)
InChIKeyMZCOMMWIUGVKGW-UHFFFAOYSA-N
XLogP4.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide (CID 17016569) is 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide is O=C(Nc1ccnc2ccc(Cl)cc12)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide?
The InChIKey is MZCOMMWIUGVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O/c16-10-5-9(7-18-8-10)15(21)20-14-3-4-19-13-2-1-11(17)6-12(13)14/h1-8H,(H,19,20,21).
What are the key properties of 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide?
5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide has a molecular weight of 362.61 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 17016569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).