N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide

C13H9BrCl2N2O2 — CID 79421839

IUPACN-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1Br
InChIInChI=1S/C13H9BrCl2N2O2/c1-20-10-6-7(2-3-8(10)14)17-13(19)12-9(15)4-5-11(16)18-12/h2-6H,1H3,(H,17,19)
InChIKeyDZDZFMQXSYTRIK-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.41
Rot. Bonds3

About N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide

N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide (PubChem CID 79421839) has the molecular formula C13H9BrCl2N2O2 and a molecular weight of 376.04 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
PubChem CID79421839
Molecular FormulaC13H9BrCl2N2O2
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC NameN-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1Br
InChIInChI=1S/C13H9BrCl2N2O2/c1-20-10-6-7(2-3-8(10)14)17-13(19)12-9(15)4-5-11(16)18-12/h2-6H,1H3,(H,17,19)
InChIKeyDZDZFMQXSYTRIK-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.41
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-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
3,6-dichloro-N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 26783735

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide (CID 79421839) is N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide is COc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide?
The InChIKey is DZDZFMQXSYTRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2/c1-20-10-6-7(2-3-8(10)14)17-13(19)12-9(15)4-5-11(16)18-12/h2-6H,1H3,(H,17,19).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide?
N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide has a molecular weight of 376.04 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 79421839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).