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

C12H8BrCl2N3O — CID 103909595

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-8(3-4-9(13)16-6)17-12(19)11-7(14)2-5-10(15)18-11/h2-5H,1H3,(H,17,19)
InChIKeyIOHAJEUWSBVCDF-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

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

N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide (PubChem CID 103909595) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
PubChem CID103909595
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-8(3-4-9(13)16-6)17-12(19)11-7(14)2-5-10(15)18-11/h2-5H,1H3,(H,17,19)
InChIKeyIOHAJEUWSBVCDF-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 54.11
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

3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79042463
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 43547698

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide (CID 103909595) is N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide is Cc1nc(Br)ccc1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide?
The InChIKey is IOHAJEUWSBVCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-8(3-4-9(13)16-6)17-12(19)11-7(14)2-5-10(15)18-11/h2-5H,1H3,(H,17,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide has a molecular weight of 361.03 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 103909595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).