N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide

C11H6BrCl2N3O — CID 103819258

IUPACN-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cccnc1Br)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-9-7(2-1-5-15-9)16-11(18)6-3-4-8(13)17-10(6)14/h1-5H,(H,16,18)
InChIKeyQSUCWCFQXIGVGI-UHFFFAOYSA-N
MW347.00 g/mol
LogP3.80
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide

N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 103819258) has the molecular formula C11H6BrCl2N3O and a molecular weight of 347.00 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID103819258
Molecular FormulaC11H6BrCl2N3O
Molecular Weight347.00 g/mol
Exact Mass344.91
IUPAC NameN-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cccnc1Br)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-9-7(2-1-5-15-9)16-11(18)6-3-4-8(13)17-10(6)14/h1-5H,(H,16,18)
InChIKeyQSUCWCFQXIGVGI-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.00
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
CID 114089631
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide (CID 103819258) is N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide is O=C(Nc1cccnc1Br)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is QSUCWCFQXIGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O/c12-9-7(2-1-5-15-9)16-11(18)6-3-4-8(13)17-10(6)14/h1-5H,(H,16,18).
What are the key properties of N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 347.00 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 103819258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).