2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide

C8H5Cl2N5O — CID 104986154

IUPAC2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H5Cl2N5O/c9-5-2-11-6(10)1-4(5)7(16)14-8-12-3-13-15-8/h1-3H,(H2,12,13,14,15,16)
InChIKeyQWCIZGYIIDYQBV-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.76
Rot. Bonds2

About 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide

2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide (PubChem CID 104986154) has the molecular formula C8H5Cl2N5O and a molecular weight of 258.07 g/mol. Its IUPAC name is 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
PubChem CID104986154
Molecular FormulaC8H5Cl2N5O
Molecular Weight258.07 g/mol
Exact Mass256.99
IUPAC Name2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H5Cl2N5O/c9-5-2-11-6(10)1-4(5)7(16)14-8-12-3-13-15-8/h1-3H,(H2,12,13,14,15,16)
InChIKeyQWCIZGYIIDYQBV-UHFFFAOYSA-N
XLogP1.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
CID 103803573
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
CID 114074081
2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 110464948
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114917203
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
CID 114917686
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 114917035
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide (CID 104986154) is 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide is O=C(Nc1ncn[nH]1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
The InChIKey is QWCIZGYIIDYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N5O/c9-5-2-11-6(10)1-4(5)7(16)14-8-12-3-13-15-8/h1-3H,(H2,12,13,14,15,16).
What are the key properties of 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide has a molecular weight of 258.07 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 104986154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).