N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide

C12H9BrClN3O — CID 71987347

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(Cl)c2)ccc1Br
InChIInChI=1S/C12H9BrClN3O/c1-7-9(13)2-3-11(16-7)17-12(18)8-4-5-15-10(14)6-8/h2-6H,1H3,(H,16,17,18)
InChIKeyMYHRRAORUQRKKZ-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide (PubChem CID 71987347) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
PubChem CID71987347
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(Cl)c2)ccc1Br
InChIInChI=1S/C12H9BrClN3O/c1-7-9(13)2-3-11(16-7)17-12(18)8-4-5-15-10(14)6-8/h2-6H,1H3,(H,16,17,18)
InChIKeyMYHRRAORUQRKKZ-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
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-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
N-(5-bromo-6-methyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 79049066
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 79048580

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide (CID 71987347) is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide is Cc1nc(NC(=O)c2ccnc(Cl)c2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide?
The InChIKey is MYHRRAORUQRKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-9(13)2-3-11(16-7)17-12(18)8-4-5-15-10(14)6-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 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-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 71987347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).