6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide

C12H5BrF4N2O — CID 107641573

IUPAC6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(Br)nc1
InChIInChI=1S/C12H5BrF4N2O/c13-8-2-1-5(4-18-8)12(20)19-11-9(16)6(14)3-7(15)10(11)17/h1-4H,(H,19,20)
InChIKeyMTTOVDZYDKCGCU-UHFFFAOYSA-N
MW349.08 g/mol
LogP3.65
Rot. Bonds2

About 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide

6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide (PubChem CID 107641573) has the molecular formula C12H5BrF4N2O and a molecular weight of 349.08 g/mol. Its IUPAC name is 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
PubChem CID107641573
Molecular FormulaC12H5BrF4N2O
Molecular Weight349.08 g/mol
Exact Mass347.95
IUPAC Name6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(Br)nc1
InChIInChI=1S/C12H5BrF4N2O/c13-8-2-1-5(4-18-8)12(20)19-11-9(16)6(14)3-7(15)10(11)17/h1-4H,(H,19,20)
InChIKeyMTTOVDZYDKCGCU-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.08
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107642987
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
CID 107598690
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide (CID 107641573) is 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide is O=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide?
The InChIKey is MTTOVDZYDKCGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF4N2O/c13-8-2-1-5(4-18-8)12(20)19-11-9(16)6(14)3-7(15)10(11)17/h1-4H,(H,19,20).
What are the key properties of 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide?
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide has a molecular weight of 349.08 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107641573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).