2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide

C14H12Br2N2O — CID 103758995

IUPAC2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cccnc1Br
InChIInChI=1S/C14H12Br2N2O/c1-8-6-10(15)7-9(2)12(8)18-14(19)11-4-3-5-17-13(11)16/h3-7H,1-2H3,(H,18,19)
InChIKeyKSVLAHQTARYYOJ-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.48
Rot. Bonds2

About 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide

2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 103758995) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
PubChem CID103758995
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cccnc1Br
InChIInChI=1S/C14H12Br2N2O/c1-8-6-10(15)7-9(2)12(8)18-14(19)11-4-3-5-17-13(11)16/h3-7H,1-2H3,(H,18,19)
InChIKeyKSVLAHQTARYYOJ-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide (CID 103758995) is 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is KSVLAHQTARYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-6-10(15)7-9(2)12(8)18-14(19)11-4-3-5-17-13(11)16/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide?
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 384.07 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103758995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).