N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide

C11H7BrClN3O — CID 43111935

IUPACN-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(Cl)ccn1
InChIInChI=1S/C11H7BrClN3O/c12-7-1-2-10(15-6-7)16-11(17)9-5-8(13)3-4-14-9/h1-6H,(H,15,16,17)
InChIKeyWWSVEIHBYLDQQJ-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.14
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide

N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide (PubChem CID 43111935) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
PubChem CID43111935
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC NameN-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(Cl)ccn1
InChIInChI=1S/C11H7BrClN3O/c12-7-1-2-10(15-6-7)16-11(17)9-5-8(13)3-4-14-9/h1-6H,(H,15,16,17)
InChIKeyWWSVEIHBYLDQQJ-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
4-chloro-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 45497358
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60713589
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide (CID 43111935) is N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide is O=C(Nc1ccc(Br)cn1)c1cc(Cl)ccn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide?
The InChIKey is WWSVEIHBYLDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-7-1-2-10(15-6-7)16-11(17)9-5-8(13)3-4-14-9/h1-6H,(H,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide?
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide has a molecular weight of 312.55 g/mol, XLogP of 3.14, 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)-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 43111935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).