2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine

C7H5ClN4 — CID 126673733

IUPAC2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine
SMILESClc1ccc(-c2ncn[nH]2)cn1
InChIInChI=1S/C7H5ClN4/c8-6-2-1-5(3-9-6)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKeyUXWBGVTWOSFBCY-UHFFFAOYSA-N
MW180.60 g/mol
LogP1.52
Rot. Bonds1

About 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine

2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 126673733) has the molecular formula C7H5ClN4 and a molecular weight of 180.60 g/mol. Its IUPAC name is 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID126673733
Molecular FormulaC7H5ClN4
Molecular Weight180.60 g/mol
Exact Mass180.02
IUPAC Name2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine
SMILESClc1ccc(-c2ncn[nH]2)cn1
InChIInChI=1S/C7H5ClN4/c8-6-2-1-5(3-9-6)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKeyUXWBGVTWOSFBCY-UHFFFAOYSA-N
XLogP1.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.60
LogP ≤ 51.52
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

2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine
CID 91801574
5-(3,4-dichlorophenyl)-1H-1,2,4-triazole
CID 58503677
5-(4-bromophenyl)-1H-1,2,4-triazole
CID 46948734
[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol
CID 57474693
6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine
CID 24904161
5-(6-chloro-3-pyridinyl)-1H-indazole
CID 57355194
5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole
CID 175871608
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
4-(1H-1,2,4-triazol-5-yl)benzoic acid
CID 6484109
5-(2-phenylphenyl)-1H-1,2,4-triazole
CID 141114745
6-(1H-1,2,4-triazol-5-yl)-1,2-benzothiazole
CID 67415178
5-(4-bromophenyl)-4,6-dichloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 79437959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine (CID 126673733) is 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine is Clc1ccc(-c2ncn[nH]2)cn1.
What is the InChIKey of 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is UXWBGVTWOSFBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4/c8-6-2-1-5(3-9-6)7-10-4-11-12-7/h1-4H,(H,10,11,12).
What are the key properties of 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine?
2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 180.60 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 126673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).