N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide

C11H6BrCl2N3O — CID 103816473

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1cccnc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-8-4-6(5-16-10(8)14)17-11(18)7-2-1-3-15-9(7)13/h1-5H,(H,17,18)
InChIKeyNUYJNSQEOGUKKJ-UHFFFAOYSA-N
MW347.00 g/mol
LogP3.80
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide (PubChem CID 103816473) has the molecular formula C11H6BrCl2N3O and a molecular weight of 347.00 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
PubChem CID103816473
Molecular FormulaC11H6BrCl2N3O
Molecular Weight347.00 g/mol
Exact Mass344.91
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1cccnc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-8-4-6(5-16-10(8)14)17-11(18)7-2-1-3-15-9(7)13/h1-5H,(H,17,18)
InChIKeyNUYJNSQEOGUKKJ-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-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(6-chloro-5-fluoro-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 177336273
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide (CID 103816473) is N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide is O=C(Nc1cnc(Cl)c(Br)c1)c1cccnc1Cl.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide?
The InChIKey is NUYJNSQEOGUKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O/c12-8-4-6(5-16-10(8)14)17-11(18)7-2-1-3-15-9(7)13/h1-5H,(H,17,18).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-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-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 103816473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).