5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide

C9H5BrClN5O — CID 114387334

IUPAC5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccnn1)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H5BrClN5O/c10-5-3-6(7(11)13-4-5)8(17)15-9-12-1-2-14-16-9/h1-4H,(H,12,15,16,17)
InChIKeyDGQDATSNAUETEM-UHFFFAOYSA-N
MW314.53 g/mol
LogP1.93
Rot. Bonds2

About 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide (PubChem CID 114387334) has the molecular formula C9H5BrClN5O and a molecular weight of 314.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
PubChem CID114387334
Molecular FormulaC9H5BrClN5O
Molecular Weight314.53 g/mol
Exact Mass312.94
IUPAC Name5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccnn1)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H5BrClN5O/c10-5-3-6(7(11)13-4-5)8(17)15-9-12-1-2-14-16-9/h1-4H,(H,12,15,16,17)
InChIKeyDGQDATSNAUETEM-UHFFFAOYSA-N
XLogP1.93
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114388210
5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387307
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide (CID 114387334) is 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide is O=C(Nc1nccnn1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide?
The InChIKey is DGQDATSNAUETEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN5O/c10-5-3-6(7(11)13-4-5)8(17)15-9-12-1-2-14-16-9/h1-4H,(H,12,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide has a molecular weight of 314.53 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114387334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).