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

C12H6BrCl2FN2O — CID 103718984

IUPACN-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-6-1-3-8(16)9(5-6)17-12(19)7-2-4-10(14)18-11(7)15/h1-5H,(H,17,19)
InChIKeyFDERZNVVTPABCB-UHFFFAOYSA-N
MW364.00 g/mol
LogP4.54
Rot. Bonds2

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

N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 103718984) has the molecular formula C12H6BrCl2FN2O and a molecular weight of 364.00 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID103718984
Molecular FormulaC12H6BrCl2FN2O
Molecular Weight364.00 g/mol
Exact Mass361.90
IUPAC NameN-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-6-1-3-8(16)9(5-6)17-12(19)7-2-4-10(14)18-11(7)15/h1-5H,(H,17,19)
InChIKeyFDERZNVVTPABCB-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.00
LogP ≤ 54.54
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

N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
2,6-dichloro-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 52803736
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide (CID 103718984) is N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide is O=C(Nc1cc(Br)ccc1F)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is FDERZNVVTPABCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O/c13-6-1-3-8(16)9(5-6)17-12(19)7-2-4-10(14)18-11(7)15/h1-5H,(H,17,19).
What are the key properties of N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 364.00 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 103718984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).