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

C9H7BrClN5O — CID 80709517

IUPAC5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
SMILESCn1ncnc1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H7BrClN5O/c1-16-9(13-4-14-16)15-8(17)6-2-5(10)3-12-7(6)11/h2-4H,1H3,(H,13,14,15,17)
InChIKeyXRECWHBSDYSVEM-UHFFFAOYSA-N
MW316.55 g/mol
LogP1.88
Rot. Bonds2

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

5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide (PubChem CID 80709517) has the molecular formula C9H7BrClN5O and a molecular weight of 316.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
PubChem CID80709517
Molecular FormulaC9H7BrClN5O
Molecular Weight316.55 g/mol
Exact Mass314.95
IUPAC Name5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
SMILESCn1ncnc1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H7BrClN5O/c1-16-9(13-4-14-16)15-8(17)6-2-5(10)3-12-7(6)11/h2-4H,1H3,(H,13,14,15,17)
InChIKeyXRECWHBSDYSVEM-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 51.88
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

4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
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CID 59781136
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
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
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-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387307
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873
5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387334
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide (CID 80709517) is 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide is Cn1ncnc1NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The InChIKey is XRECWHBSDYSVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5O/c1-16-9(13-4-14-16)15-8(17)6-2-5(10)3-12-7(6)11/h2-4H,1H3,(H,13,14,15,17).
What are the key properties of 5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide has a molecular weight of 316.55 g/mol, XLogP of 1.88, 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-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 80709517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).