N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide

C12H8BrCl2N3O — CID 103715596

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Br
InChIInChI=1S/C12H8BrCl2N3O/c1-6-8(13)3-5-10(16-6)18-12(19)7-2-4-9(14)17-11(7)15/h2-5H,1H3,(H,16,18,19)
InChIKeySHQLMJJJGFVLHZ-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 103715596) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID103715596
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Br
InChIInChI=1S/C12H8BrCl2N3O/c1-6-8(13)3-5-10(16-6)18-12(19)7-2-4-9(14)17-11(7)15/h2-5H,1H3,(H,16,18,19)
InChIKeySHQLMJJJGFVLHZ-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

N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 79049259
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
6-amino-N-(5-bromo-6-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 79049219
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-chloropyridine-4-carboxamide
CID 114923983
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 113227258

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide (CID 103715596) is N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is SHQLMJJJGFVLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-8(13)3-5-10(16-6)18-12(19)7-2-4-9(14)17-11(7)15/h2-5H,1H3,(H,16,18,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-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-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 103715596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).