6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C12H7BrF3N3O — CID 103890126

IUPAC6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(Br)n1
InChIInChI=1S/C12H7BrF3N3O/c13-10-3-1-2-8(19-10)11(20)18-7-4-5-9(17-6-7)12(14,15)16/h1-6H,(H,18,20)
InChIKeyYJMADMXLDYTECV-UHFFFAOYSA-N
MW346.11 g/mol
LogP3.51
Rot. Bonds2

About 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 103890126) has the molecular formula C12H7BrF3N3O and a molecular weight of 346.11 g/mol. Its IUPAC name is 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID103890126
Molecular FormulaC12H7BrF3N3O
Molecular Weight346.11 g/mol
Exact Mass344.97
IUPAC Name6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(Br)n1
InChIInChI=1S/C12H7BrF3N3O/c13-10-3-1-2-8(19-10)11(20)18-7-4-5-9(17-6-7)12(14,15)16/h1-6H,(H,18,20)
InChIKeyYJMADMXLDYTECV-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 53.51
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

6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
CID 170719912
N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167983417
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 166481443
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 103890126) is 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YJMADMXLDYTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N3O/c13-10-3-1-2-8(19-10)11(20)18-7-4-5-9(17-6-7)12(14,15)16/h1-6H,(H,18,20).
What are the key properties of 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 346.11 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 103890126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).