2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide

C12H7BrCl2N2O — CID 114037407

IUPAC2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccnc(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-10-6-7(4-5-16-10)12(18)17-11-8(14)2-1-3-9(11)15/h1-6H,(H,17,18)
InChIKeyLFTUWMPWTDYLGK-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

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

2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 114037407) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
PubChem CID114037407
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC Name2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccnc(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-10-6-7(4-5-16-10)12(18)17-11-8(14)2-1-3-9(11)15/h1-6H,(H,17,18)
InChIKeyLFTUWMPWTDYLGK-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
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-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081638
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
4-N-cyclopentyl-2-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080842
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide (CID 114037407) is 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is LFTUWMPWTDYLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-10-6-7(4-5-16-10)12(18)17-11-8(14)2-1-3-9(11)15/h1-6H,(H,17,18).
What are the key properties of 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide?
2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114037407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).