N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide

C11H6BrCl2N3O — CID 43132088

IUPACN-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H6BrCl2N3O/c12-7-1-2-10(15-5-7)17-11(18)6-3-8(13)16-9(14)4-6/h1-5H,(H,15,17,18)
InChIKeyUBWMQCGWOFKFJW-UHFFFAOYSA-N
MW347.00 g/mol
LogP3.80
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide

N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide (PubChem CID 43132088) has the molecular formula C11H6BrCl2N3O and a molecular weight of 347.00 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
PubChem CID43132088
Molecular FormulaC11H6BrCl2N3O
Molecular Weight347.00 g/mol
Exact Mass344.91
IUPAC NameN-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H6BrCl2N3O/c12-7-1-2-10(15-5-7)17-11(18)6-3-8(13)16-9(14)4-6/h1-5H,(H,15,17,18)
InChIKeyUBWMQCGWOFKFJW-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-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186827
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide (CID 43132088) is N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide is O=C(Nc1ccc(Br)cn1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide?
The InChIKey is UBWMQCGWOFKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O/c12-7-1-2-10(15-5-7)17-11(18)6-3-8(13)16-9(14)4-6/h1-5H,(H,15,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-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-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide is sourced from PubChem (CID 43132088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).